SCHEMBL9687484

SCHEMBL9687484

Cc1ccc(Cc2cccc(N)c2N)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTT P42858 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CD44 P16070 1/20 0.39
CHRM2 P08172 2/20 0.39
MEN1 O00255 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM3 P20309 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.36
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3132841 0.74 CD44 (0.46) ALDH1A1POLBTDP1HSD17B10L3MBTL1
SCHEMBL9686545 0.73 MAPT (0.49) MAPTALDH1A1POLBTDP1HTT
SCHEMBL2245888 0.72 TLR8 (0.41) MAPTALDH1A1POLBTDP1HTT
SCHEMBL903315 0.72 CHRM2 (0.58) MAPTALDH1A1POLBTDP1HTT
SCHEMBL10028055 0.71 TAAR1 (0.47) MAPTALDH1A1POLBTDP1HTT
SCHEMBL9686525 0.70 MAPT (0.49) MAPTALDH1A1POLBTDP1HTT
SCHEMBL19481502 0.70 CHRM2 (0.56) MAPTALDH1A1POLBTDP1HTT
SCHEMBL9535289 0.69 CD44 (0.48) ALDH1A1POLBTDP1CD44CYP3A4
SCHEMBL25128958 0.69 MAPT (0.44) MAPTALDH1A1POLBTDP1HTT
SCHEMBL29817906 0.69 ALDH1A1 (0.47) MAPTALDH1A1POLBTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1029964-C Novel N-(4-piperidinyl) Bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-10-11 CN disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
EP-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed
CN-88103784-A N- (4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives 1988-12-28 CN disclosed
EP-0295742-A1 Novel N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-21 EP disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed