SCHEMBL8930426

SCHEMBL8930426

C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCC)c3ccccc3)c2)C[C@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.70
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
OPRM1 P35372 1/20 0.66
OPRK1 P41145 1/20 0.66
SIGMAR1 Q99720 1/20 0.66

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
SCHEMBL8930450 0.94 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8930533 0.94 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8069174 0.92 OPRD1 (0.80) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8930472 0.92 OPRD1 (0.72) OPRD1
SCHEMBL8930447 0.92 OPRD1 (0.64) OPRD1OPRM1
SCHEMBL8930411 0.90 OPRD1 (0.69) OPRD1
SCHEMBL8069289 0.89 OPRD1 (0.66) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL8930429 0.89 OPRD1 (0.60) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6932776 0.88 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6932773 0.88 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 US claimed
EP-0711289-A1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS, INC. (US) 1996-05-15 EP claimed
WO-1995004051-A1 PIPERAZINE COMPOUNDS USED IN THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-09 WO 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
EP-0711289-A1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS, INC. (US) 1996-05-15 EP disclosed
WO-1995004051-A1 PIPERAZINE COMPOUNDS USED IN THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-09 WO disclosed