SCHEMBL7430480

SCHEMBL7430480

O=C(Cc1ccc(Cl)cc1)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 2/20 0.67
GFER P55789 1/20 0.65
ATM Q13315 1/20 0.65
ME2 P23368 1/20 0.63
ME1 P48163 1/20 0.63
ME3 Q16798 1/20 0.63
RAB9A P51151 3/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
HSD11B1 P28845 1/20 0.61
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
POLB P06746 2/20 0.57
MAPT P10636 1/20 0.57
GPR183 P32249 1/20 0.56

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
SCHEMBL9528958 0.98 HPGD (0.70) HPGDSMN1; SMN2NPC1GFERATM
SCHEMBL4671683 0.86 GFER (0.61) HPGDSMN1; SMN2NPC1GFERATM
SCHEMBL26100265 0.85 HPGD (0.55) HPGDSMN1; SMN2NPC1GFERATM
SCHEMBL22217034 0.85 SMN1; SMN2 (0.67) HPGDSMN1; SMN2NPC1GFERATM
SCHEMBL24352145 0.84 KMT2A (0.72) NPC1GFERATMME2ME1
SCHEMBL15134817 0.84 MAPT (0.68) HPGDSMN1; SMN2GFERATMME2
SCHEMBL654067 0.84 GFER (0.60) HPGDSMN1; SMN2NPC1GFERATM
SCHEMBL26099857 0.83 MAPT (0.53) HPGDSMN1; SMN2NPC1GFERATM
SCHEMBL15985154 0.83 SMN1; SMN2 (0.69) HPGDSMN1; SMN2NPC1ME2ME1
SCHEMBL27405797 0.82 NPC1 (0.70) HPGDSMN1; SMN2NPC1ME2ME1

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed