SCHEMBL6920951

SCHEMBL6920951

BrCCOc1cccc2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
P2RX4 Q99571 1/20 0.48
MCL1 Q07820 1/20 0.46
PLA2G2A P14555 9/20 0.43
UTS2R Q9UKP6 1/20 0.43
HTR6 P50406 2/20 0.41
PLA2G10 O15496 2/20 0.41
PLA2G1B P04054 2/20 0.41
PLA2G5 P39877 2/20 0.41
PLA2G2E Q9NZK7 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
PLA2G6 O60733 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
PLA2G12B Q9BX93 1/20 0.39
PLA2G12A Q9BZM1 1/20 0.39
PLA2G2F Q9BZM2 1/20 0.39
PLA2G3 Q9NZ20 1/20 0.39

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
SCHEMBL6921144 0.86 CYP19A1 (0.53) CYP19A1P2RX4MCL1PLA2G2AUTS2R
SCHEMBL6927241 0.84 DRD2 (0.51) CYP19A1P2RX4MCL1PLA2G2AUTS2R
SCHEMBL6926400 0.83 HTR1B (0.51) CYP19A1P2RX4MCL1PLA2G2AUTS2R
SCHEMBL6924418 0.83 HTR1B (0.51) CYP19A1P2RX4MCL1PLA2G2AUTS2R
SCHEMBL6928709 0.83 HTR1B (0.46) CYP19A1P2RX4MCL1PLA2G2AUTS2R
SCHEMBL6921216 0.81 HTR1B (0.53) CYP19A1P2RX4MCL1PLA2G2AUTS2R
SCHEMBL6920002 0.81 HRH1 (0.53) CYP19A1
SCHEMBL6928704 0.80 HTR1D (0.54) CYP19A1P2RX4MCL1PLA2G2AUTS2R
SCHEMBL6926928 0.80 ESR1 (0.54) HTR6
SCHEMBL6921654 0.80 HTR6 (0.49) CYP19A1UTS2RHTR6KMT2AKDM4E

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 3 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 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