SCHEMBL6981689

SCHEMBL6981689

COCO[C@H]1CCN([C@@H](CO)c2cccc(C)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.36
▸ GBA1 P04062 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ TACR1 P25103 3/20 0.33
▸ SOS1 Q07889 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL6981686 1.00 SLC6A9 (0.36) SLC6A9GBA1MCHR1TACR1SOS1
SCHEMBL8473770 1.00 SLC6A9 (0.36) SLC6A9GBA1MCHR1TACR1SOS1
SCHEMBL8507434 0.89 SLC6A2 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL6979250 0.89 SLC6A2 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL6979254 0.89 SLC6A2 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL8508323 0.87 OPRL1 (0.42) MCHR1MAPK1OPRM1OPRD1OPRK1
SCHEMBL6974169 0.87 OPRL1 (0.42) MCHR1MAPK1OPRM1OPRD1OPRK1
SCHEMBL6974165 0.87 OPRL1 (0.42) MCHR1MAPK1OPRM1OPRD1OPRK1
SCHEMBL7872456 0.87 OPRL1 (0.42) MCHR1MAPK1OPRM1OPRD1OPRK1
SCHEMBL6979034 0.87 OPRL1 (0.42) MCHR1MAPK1OPRM1OPRD1OPRK1

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
EP-0817772-B1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER (US) 2003-01-29 — — EP disclosed
US-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 — — US disclosed
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 — — US disclosed
WO-1996030339-A1 PYRROLIDINYL HYDROXAMIC ACID COMPOUNDS AND THEIR PRODUCTION PROCESS PFIZER INC. (US) 1996-10-03 — — WO disclosed
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