SCHEMBL6921144

SCHEMBL6921144

NCCOc1cccc2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
HTR1B P28222 1/20 0.48
P2RX4 Q99571 1/20 0.48
HTR6 P50406 1/20 0.47
PLA2G2A P14555 10/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLA2G10 O15496 2/20 0.43
PLA2G1B P04054 2/20 0.43
PLA2G5 P39877 2/20 0.43
PLA2G2E Q9NZK7 2/20 0.43
UTS2R Q9UKP6 1/20 0.43
PLA2G6 O60733 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
PLA2G12B Q9BX93 1/20 0.42
PLA2G12A Q9BZM1 1/20 0.42

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
SCHEMBL6924330 0.90 P2RX4 (0.52) CYP19A1HTR1BP2RX4HTR6PLA2G2A
SCHEMBL6925182 0.88 HTR1B (0.42) CYP19A1HTR1BP2RX4HTR6PLA2G2A
SCHEMBL6923671 0.88 POLB (0.43) CYP19A1HTR1BHTR6SMN1; SMN2ALDH1A1
SCHEMBL6925585 0.88 MEN1 (0.47) HTR1BHTR6PLA2G2AHPGDKDM4E
SCHEMBL6923328 0.87 PLA2G2A (0.45) CYP19A1P2RX4HTR6PLA2G2AMCL1
SCHEMBL6920951 0.86 CYP19A1 (0.53) CYP19A1P2RX4HTR6PLA2G2AMCL1
SCHEMBL6921541 0.86 HTR6 (0.47) CYP19A1HTR1BHTR6PLA2G2AMCL1
SCHEMBL6921602 0.86 ABCG2 (0.48) HTR1BP2RX4PLA2G2AKDM4EALDH1A1
SCHEMBL6921601 0.85 PLA2G2A (0.47) P2RX4HTR6PLA2G2AALDH1A1PLA2G10
SCHEMBL6924402 0.85 HTR6 (0.49) HTR6PLA2G2AALDH1A1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US claimed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP claimed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO claimed
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed