SCHEMBL11630316

SCHEMBL11630316

O=C1c2cccc3cccc(c23)C(O)N1CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.52
▸ OPRL1 P41146 9/20 0.50
▸ OPRD1 P41143 2/20 0.50
▸ OPRK1 P41145 3/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ MTOR P42345 1/20 0.48
▸ EBP Q15125 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DRD4 P21917 2/20 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
SCHEMBL11634992 0.87 L3MBTL1 (0.53) OPRL1TP53SIGMAR1KDM4EL3MBTL1
SCHEMBL11629858 0.85 L3MBTL1 (0.44) OPRM1OPRL1SIGMAR1KDM4EL3MBTL1
SCHEMBL11633475 0.84 L3MBTL1 (0.45) OPRM1OPRL1OPRD1OPRK1KDM4E
SCHEMBL11635491 0.83 HTR7 (0.59) OPRM1ABCB11SIGMAR1DRD2DRD3
SCHEMBL11634977 0.82 L3MBTL1 (0.47) OPRM1OPRL1KDM4EL3MBTL1DRD2
SCHEMBL11635382 0.82 DRD2 (0.53) L3MBTL1DRD4DRD2CHRM4TRPV6
SCHEMBL11629536 0.81 SIGMAR1 (0.46) OPRL1SIGMAR1L3MBTL1DRD2LMNA
SCHEMBL11629977 0.81 SIGMAR1 (0.46) OPRL1SIGMAR1L3MBTL1DRD2LMNA
SCHEMBL11630996 0.81 SIGMAR1 (0.46) OPRL1SIGMAR1L3MBTL1DRD2LMNA
SCHEMBL11811302 0.81 MAPK1 (0.56) OPRM1OPRL1OPRD1OPRK1ABCB11

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
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 — — US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 — — US disclosed
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