SCHEMBL9329079

SCHEMBL9329079

COc1ccc(C(O)C2CCN(CCc3ccccc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.76
HTR2C P28335 2/20 0.76
KDM4E B2RXH2 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2D6 P10635 1/20 0.76
TSHR P16473 1/20 0.76
HTR7 P34969 1/20 0.62
HRH1 P35367 1/20 0.58
SIGMAR1 Q99720 1/20 0.57
OPRM1 P35372 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9649783 0.99 HTR2A (0.74) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL9327531 0.95 HTR2A (0.76) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL9327580 0.94 HTR2A (0.70) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL30516676 0.88 SIGMAR1 (0.61) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Glemanserin SCHEMBL120012 0.87 HTR2A (1.00) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL9328969 0.86 HTR2A (0.82) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Glemanserin SCHEMBL7838106 0.86 HTR2A (0.97) HTR2AHTR2CKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9649750 0.85 HTR2A (0.80) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL9650047 0.85 HTR2A (0.67) HTR2AHTR2CKDM4ECYP1A2CYP3A4
SCHEMBL9328976 0.85 HTR2A (0.84) HTR2AHTR2CKDM4ECYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325063-B1 Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMA (US) 1994-03-09 EP claimed
US-5169096-A Serotonin antagonists, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1992-12-08 US claimed
US-4908369-A Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US claimed
EP-0337136-A2 Piperidine derivatives in the treatment of extrapyramidal side effects associated with neuroleptic therapy MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-18 EP claimed
EP-0319962-A2 Piperidinyl methanol derivatives for the treatment of anxiety MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-14 EP claimed
US-4783471-A N-aralkyl piperidine methanol derivatives and the uses thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-08 US claimed
EP-0325063-B1 Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMA (US) 1994-03-09 EP disclosed
US-5169096-A Serotonin antagonists, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1992-12-08 US disclosed
US-5106855-A Method for the treatment of glaucoma MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 US disclosed
US-5021428-A Novel chemical compounds for the prophylactic treatment of migraine MERRELL DOW PHARMACEUTICALS INC. (US) 1991-06-04 US disclosed
US-4912117-A Therapy for varient angina MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-27 US disclosed
US-4908369-A Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US disclosed
EP-0208235-B1 N-ARALKYL PIPERIDINEMETHANOL DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-10 EP disclosed
US-4877798-A Treatment of fibromyalgia MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-31 US disclosed
EP-0337136-A2 Piperidine derivatives in the treatment of extrapyramidal side effects associated with neuroleptic therapy MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-18 EP disclosed
US-4783471-A N-aralkyl piperidine methanol derivatives and the uses thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-08 US disclosed
EP-0208235-A1 N-Aralkyl piperidinemethanol derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1987-01-14 EP disclosed