SCHEMBL6919987

SCHEMBL6919987

NCCOc1c(Cl)ccc2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
P2RX4 Q99571 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
UTS2R Q9UKP6 1/20 0.41
CCR2 P41597 3/20 0.38
PLAU P00749 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6926504 0.81 CYP19A1 (0.48) CYP19A1P2RX4SMN1; SMN2KDM4EALDH1A1
SCHEMBL6921144 0.81 CYP19A1 (0.53) CYP19A1P2RX4SMN1; SMN2KDM4EALDH1A1
SCHEMBL27482466 0.77 CYP19A1 (0.59) CYP19A1P2RX4SMN1; SMN2KDM4EALDH1A1
SCHEMBL6925221 0.74 CYP19A1 (0.59) CYP19A1P2RX4SMN1; SMN2KDM4EALDH1A1
SCHEMBL6924330 0.72 P2RX4 (0.52) CYP19A1P2RX4SMN1; SMN2KDM4EALDH1A1
SCHEMBL6923328 0.71 PLA2G2A (0.45) CYP19A1P2RX4SMN1; SMN2KDM4EALDH1A1
Acetonitrile SCHEMBL27465807 0.71 CYP19A1 (0.50) CYP19A1P2RX4SMN1; SMN2KDM4EALDH1A1
SCHEMBL6921541 0.71 HTR6 (0.47) CYP19A1SMN1; SMN2KDM4EMAPTTP53
SCHEMBL6924402 0.70 HTR6 (0.49) ALDH1A1KMT2AMAPK1
SCHEMBL6925182 0.70 HTR1B (0.42) CYP19A1P2RX4SMN1; SMN2KDM4EMAPT

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