SCHEMBL6919685

SCHEMBL6919685

COc1ccc2c3c(OCC#N)cccc3n(Cc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.44
PLA2G10 O15496 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
TP53 P04637 4/20 0.43
NTRK1 P04629 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.42
DYRK1A Q13627 2/20 0.41
DYRK3 O43781 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK2 Q92630 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
SCHEMBL6924426 0.92 TSHR (0.47) PLA2G2ANTRK1MAPTSMN1; SMN2P2RX4
SCHEMBL6921601 0.84 PLA2G2A (0.47) PLA2G2APLA2G10TP53NTRK1MAPT
SCHEMBL6923666 0.81 KMT2A (0.44) PLA2G2APLA2G10MAPTSMN1; SMN2P2RX4
SCHEMBL6925937 0.78 PLA2G2A (0.53) PLA2G2APLA2G10TP53NTRK1CNR2
SCHEMBL818659 0.75 PLA2G2A (0.43) PLA2G2APLA2G10MAPTSMN1; SMN2
SCHEMBL6924402 0.75 HTR6 (0.49) PLA2G2ANTRK1ALDH1A1POLBHTT
SCHEMBL6921062 0.75 MAPT (0.39) PLA2G2APLA2G10TP53MAPTP2RX4
SCHEMBL31511289 0.72 PLA2G2A (0.41) PLA2G2APLA2G10MAPTSMN1; SMN2
SCHEMBL28527831 0.72 PLA2G2A (0.41) PLA2G2APLA2G10MAPTSMN1; SMN2
SCHEMBL6921602 0.72 ABCG2 (0.48) PLA2G2ATP53NTRK1MAPTMTNR1A

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