SCHEMBL6579557

SCHEMBL6579557

CCOCn1ccnc1C(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
OPRD1 P41143 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL5973964 0.85 DGAT1 (0.40) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL28841366 0.82 CNR2 (0.42) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL11233228 0.81 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13389039 0.73 RAB9A (0.55) RAB9ANPC1SMN1; SMN2OPRD1OPRM1
SCHEMBL7413642 0.73 CTSL (0.40) RAB9ANPC1SMN1; SMN2OPRD1OPRK1
SCHEMBL11233121 0.72 PPARG (0.45) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL1593910 0.70 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2OPRD1OPRM1
SCHEMBL5655500 0.69 TLR8 (0.37) RAB9ANPC1SMN1; SMN2
Ether SCHEMBL9242996 0.69 MAPT (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3303697 0.69 CTSL (0.43) RAB9ANPC1SMN1; SMN2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6207678-B1 USED FOR TREATING INFLAMMATORY DISEASE SUCH AS ARTHRITIS, PSORIASIS, ASTHMA OR INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM DISORDER SUCH AS ANXIETY, DEPRESSION, DEMENTIA OR PSYCHOSIS, GASTROINTESTINAL DISORDERS PFIZER INC 2001-03-27 US disclosed
EP-0994876-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2000-04-26 EP disclosed
WO-1998057972-A1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1998-12-23 WO disclosed