SCHEMBL6921602

SCHEMBL6921602

COc1cccc(Cn2c3ccccc3c3c(OCCN)cccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.48
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CSF1R P07333 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PLA2G2A P14555 1/20 0.43
P2RX4 Q99571 1/20 0.43
DNM1 Q05193 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6924311 0.92 P2RX4 (0.43) ABCG2KMT2APOLBKDM4ETP53
SCHEMBL6921601 0.88 PLA2G2A (0.47) ABCG2POLBALDH1A1TP53MAPT
SCHEMBL6924402 0.88 HTR6 (0.49) KMT2APOLBALDH1A1PLA2G2ANTRK1
SCHEMBL6925585 0.86 MEN1 (0.47) KMT2AKDM4EALDH1A1L3MBTL1TP53
SCHEMBL6921144 0.86 CYP19A1 (0.53) KDM4EALDH1A1PLA2G2AP2RX4HTR1B
SCHEMBL6925182 0.84 HTR1B (0.42) KDM4ETP53MAPTTAAR1PLA2G2A
SCHEMBL6923671 0.84 POLB (0.43) POLBALDH1A1MAPTTAAR1HTR1B
SCHEMBL6924330 0.81 P2RX4 (0.52) KDM4EALDH1A1PLA2G2AP2RX4HTR1B
SCHEMBL29093447 0.80 KMT2A (0.62) KMT2APOLBKDM4EALDH1A1L3MBTL1
SCHEMBL30616062 0.80 KMT2A (0.62) KMT2APOLBKDM4EALDH1A1L3MBTL1

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 4 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
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