SCHEMBL7416908

SCHEMBL7416908

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)NCCN(C)Cc2ccccc2OC)C1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.88

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
SCHEMBL7417540 0.95 TACR1 (0.89) TACR1
SCHEMBL7416640 0.94 TACR1 (1.00) TACR1
SCHEMBL7418622 0.94 TACR1 (1.00) TACR1
SCHEMBL7417465 0.91 TACR1 (0.90) TACR1
SCHEMBL7423780 0.90 TACR1 (0.80) TACR1
SCHEMBL8915244 0.88 TACR1 (1.00) TACR1
SCHEMBL7419035 0.87 TACR1 (0.87) TACR1
SCHEMBL7425121 0.86 TACR1 (0.73) TACR1
SCHEMBL7386152 0.85 TACR1 (0.93) TACR1
SCHEMBL3514822 0.85 TACR1 (0.93) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO claimed
US-5344830-A Anitinflammatory, cardiovascular, analgesic, central nervous system MERCK & CO., INC. (US) 1994-09-06 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed