SCHEMBL7419209

SCHEMBL7419209

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCCNCc2ccccc2OC)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 1.00

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
SCHEMBL7421764 1.00 TACR1 (1.00) TACR1
SCHEMBL7419035 0.89 TACR1 (0.87) TACR1
SCHEMBL7418622 0.89 TACR1 (1.00) TACR1
SCHEMBL7416640 0.89 TACR1 (1.00) TACR1
SCHEMBL7410466 0.85 TACR1 (0.80) TACR1
SCHEMBL7423327 0.84 TACR1 (1.00) TACR1
SCHEMBL7422451 0.84 TACR1 (1.00) TACR1
SCHEMBL7417465 0.84 TACR1 (0.90) TACR1
SCHEMBL7415960 0.84 TACR1 (0.92) TACR1
SCHEMBL7417540 0.84 TACR1 (0.89) 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