SCHEMBL8943598

SCHEMBL8943598

COc1ccccc1N1CCN(C[C@@H](NC(=O)Nc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
DRD2 P14416 3/20 0.56
DRD4 P21917 3/20 0.56
DRD3 P35462 3/20 0.56
HTR1D P28221 1/20 0.53
HTR2B P41595 1/20 0.53
HTR7 P34969 4/20 0.53
PDE4B Q07343 2/20 0.52
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL8943611 1.00 HTR1A (0.59) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8442858 0.88 HTR1A (0.65) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8444594 0.83 HTR1A (0.77) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8444489 0.81 HTR1A (0.59) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8444546 0.81 ALDH1A1 (0.62) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11113037 0.80 HTR1A (0.60) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8442467 0.79 HTR1A (0.78) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8442534 0.78 HTR1A (0.80) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8442538 0.78 HTR1A (0.76) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8445488 0.77 HTR1A (0.71) HTR1AALDH1A1KDM4ECYP1A2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395312-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP claimed
US-5541326-A PHARMACEUTICAL COMPOSITION USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS JOHN WYETH & BROTHER, LIMITED (GB) 1996-07-30 US disclosed
US-5420278-A ω-(4-aryl or heteroarylpiperazine-1-yl)-2-aryl or aralkyl-propanoic or butanoic acids JOHN WYETH & BROTHER, LIMITED (GB) 1995-05-30 US disclosed
US-5382583-A Hydroxytryptamine antagonists JOHN WYETH & BROTHER, LIMITED (GB) 1995-01-17 US disclosed
US-5364849-A Treatment of anxiety JOHN WYETH & BROTHER, LIMITED (GB) 1994-11-15 US disclosed
US-5340812-A Antiserotonin. anxiolytic agents JOHN WYETH & BROTHER, LIMITED (GB) 1994-08-23 US disclosed
EP-0395312-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP disclosed