SCHEMBL9328992

SCHEMBL9328992

CC(c1ccc(N)cc1)N1CCC(C(O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
HTR2A P28223 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HTR2C P28335 1/20 0.47
MC4R P32245 1/20 0.46
DRD4 P21917 1/20 0.44
OPRM1 P35372 3/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
OPRD1 P41143 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9328579 0.86 HTR2A (0.54) CYP2D6CARM1PRMT6HTR2AKDM4E
SCHEMBL9327527 0.84 OPRM1 (0.50) CYP2D6CARM1PRMT6HTR2AKDM4E
SCHEMBL27014465 0.81 CARM1 (0.56) CYP2D6CARM1PRMT6HTR2AKDM4E
SCHEMBL189154 0.77 HTR2A (0.46) CYP2D6CARM1PRMT6HTR2AKDM4E
SCHEMBL9327579 0.77 CHRM2 (0.49) OPRM1
SCHEMBL6946061 0.74 CYP2D6 (0.68) CYP2D6MC4RDRD4OPRM1OPRK1
SCHEMBL3392214 0.74 CARM1 (0.63) CYP2D6CARM1PRMT6HTR2AKDM4E
SCHEMBL19613224 0.74 CYP2D6 (0.68) CYP2D6MC4RDRD4OPRM1OPRK1
SCHEMBL7286703 0.74 CYP2D6 (0.68) CYP2D6MC4RDRD4OPRM1OPRK1
SCHEMBL19614197 0.74 CYP2D6 (0.68) CYP2D6MC4RDRD4OPRM1OPRK1

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 15 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-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
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
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
EP-0325063-A1 Use of 1,4-disubstituted-piperidinyl compounds in the manufacture of a medicament for the treatment of insomnia MERRELL DOW PHARMACEUTICALS INC. (US) 1989-07-26 EP disclosed
EP-0319962-A2 Piperidinyl methanol derivatives for the treatment of anxiety MERRELL DOW PHARMACEUTICALS INC. (US) 1989-06-14 EP disclosed
US-4783471-A N-aralkyl piperidine methanol derivatives and the uses thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-08 US disclosed