SCHEMBL6924426

SCHEMBL6924426

COc1ccc2c(c1)c1c(OCC#N)cccc1n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G2A P14555 11/20 0.46
PLA2G1B P04054 1/20 0.46
NTRK1 P04629 1/20 0.44
HTR6 P50406 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
P2RX4 Q99571 1/20 0.44

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
SCHEMBL6919685 0.92 PLA2G2A (0.44) TSHRMAPK1KMT2APLA2G2ANTRK1
SCHEMBL6923666 0.87 KMT2A (0.44) TSHRMAPK1KMT2APLA2G2APLA2G1B
SCHEMBL6924402 0.84 HTR6 (0.49) TSHRMAPK1KMT2APLA2G2APLA2G1B
SCHEMBL7517440 0.78 TSHR (0.56) TSHRMAPK1KMT2APLA2G2APLA2G1B
SCHEMBL6920467 0.78 PLA2G2A (0.55) TSHRMAPK1KMT2APLA2G2APLA2G1B
SCHEMBL6921601 0.75 PLA2G2A (0.47) PLA2G2ANTRK1HTR6MAPTP2RX4
SCHEMBL6921062 0.75 MAPT (0.39) TSHRKMT2APLA2G2APLA2G1BMAPT
SCHEMBL6983559 0.74 PLA2G2A (0.59) PLA2G2APLA2G1B
SCHEMBL818659 0.73 PLA2G2A (0.43) PLA2G2APLA2G1BMAPTSMN1; SMN2
SCHEMBL14280388 0.72 P2RX4 (0.77) TSHRMAPK1KMT2APLA2G2APLA2G1B

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 1 patent. 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