SCHEMBL8304764

SCHEMBL8304764

Clc1ccc(-c2ncccc2CCc2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CNR1 P21554 1/20 0.43
SYK P43405 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
HRH1 P35367 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4592340 0.77 KDM4E (0.41) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4049174 0.77 TRPV1 (0.47) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL17513265 0.76 CYP1A2 (0.66) KDM4ETSHRGAANPC1RAB9A
SCHEMBL15410719 0.76 HRH1 (0.42) SMN1; SMN2ALDH1A1CYP1A2CYP2D6SYK
SCHEMBL19096704 0.76 ASIC3 (0.45) ALDH1A1SYKAURKBINCENPHRH1
SCHEMBL9253903 0.75 KDM4E (0.62) KDM4ETSHRGAANPC1RAB9A
SCHEMBL8304763 0.75 NPC1 (0.42) KDM4ETSHRNPC1RAB9AMAPT
SCHEMBL792165 0.72 CCR9 (0.45) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL230753 0.72 HRH1 (0.73) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL29485678 0.72 HRH1 (0.73) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed