Sugi Predict

Sugi Predict / Compounds / SCHEMBL8930412

SCHEMBL8930412

SCHEMBL8930412

C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)CCc3ccccc3)c2)C[C@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.68

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
SCHEMBL8930506 0.92 OPRD1 (0.69) OPRD1
Hydrochloric Acid SCHEMBL8930475 0.91 OPRD1 (0.69) OPRD1
Hydrochloric Acid SCHEMBL8930471 0.91 OPRD1 (0.69) OPRD1
SCHEMBL6932776 0.90 OPRD1 (0.71) OPRD1
SCHEMBL6932773 0.90 OPRD1 (0.71) OPRD1
SCHEMBL8930414 0.89 OPRD1 (0.58) OPRD1
SCHEMBL3580035 0.88 OPRD1 (0.71) OPRD1
SCHEMBL13441419 0.88 OPRD1 (0.71) OPRD1
SCHEMBL3580032 0.88 OPRD1 (0.71) OPRD1
SCHEMBL6933168 0.88 OPRD1 (0.75) OPRD1

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
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