SCHEMBL8930490

SCHEMBL8930490

C=CCN1C[C@H](C)N(c2c(Cc3cccc(C(=O)N(CC)c4ccc(F)cc4)c3)cccc2OC)C[C@H]1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
OPRM1 P35372 2/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL8930486 0.87 OPRD1 (0.55) OPRD1OPRM1
SCHEMBL9212660 0.84 KDM4E (0.41) OPRD1CYP3A4CYP1A2
SCHEMBL4576511 0.77 OPRD1 (0.59) OPRD1
SCHEMBL8078578 0.75 OPRD1 (0.69) OPRD1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6915923 0.73 OPRD1 (0.43) OPRD1CYP3A4OPRM1CYP1A2OPRK1
SCHEMBL8069275 0.72 OPRD1 (0.74) OPRD1CYP3A4OPRM1CYP1A2OPRK1
SCHEMBL7993545 0.70 CYP3A4 (0.54) OPRD1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL8002856 0.70 CYP3A4 (0.54) OPRD1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL8009424 0.70 CYP3A4 (0.54) OPRD1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4591245 0.70 CYP3A4 (0.54) OPRD1MEN1KMT2ACYP3A4CYP2D6

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
US-5681830-A DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES DELTA PHARMACEUTICALS, INC. (US) 1997-10-28 US claimed
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 US claimed
US-5681830-A DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES DELTA PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed
US-5574159-A DIARYLMETHYL PIPERAZINES, RECEPTOR BINDING DELTA PHARMACEUTICALS, INC. (US) 1996-11-12 US disclosed
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 US disclosed