SCHEMBL11607627

SCHEMBL11607627

CC(C)N1CCCC(Br)(Br)C1=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ OPRL1 P41146 1/20 0.30

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
SCHEMBL18650801 0.78 PER2 (0.34) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL29348251 0.76 PER2 (0.35) HSD11B1OPRM1OPRD1OPRK1OPRL1
SCHEMBL16503637 0.74 HSD11B1 (0.30) HSD11B1
SCHEMBL11605327 0.72 GRIN1 (0.41) —
SCHEMBL20609926 0.72 OPRM1 (0.30) OPRM1OPRD1OPRK1OPRL1
SCHEMBL18806202 0.71 HRH3 (0.36) HSD11B1
SCHEMBL13431755 0.69 PRMT1 (0.37) OPRM1OPRD1OPRK1OPRL1
SCHEMBL20420099 0.69 ACACB (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL13216615 0.68 RARA (0.35) OPRM1OPRD1OPRK1OPRL1
SCHEMBL21061534 0.68 PRMT1 (0.37) OPRM1OPRD1OPRK1OPRL1

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-4067985-A IMMUNOSUPPRESSIVE, SEDATIVE, ANTITUMOR CHEMIE GRUNENTHAL GMBH (DT) 1978-01-10 — — US disclosed
US-3951985-A SUBSTITUTED ORTHO-SULFOBENZOIC ACID IMIDO PYRROLIDONE, PIPERIDONE OR CAPROLACTAM CHEMIE GRUNENTHAL GMBH (DT) 1976-04-20 — — US disclosed
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