SCHEMBL7417504

SCHEMBL7417504

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CCN(C)Cc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 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
SCHEMBL7425133 1.00 TACR1 (1.00) TACR1
SCHEMBL3515351 0.90 TACR1 (1.00) TACR1
SCHEMBL7421876 0.90 TACR1 (1.00) TACR1
SCHEMBL7412926 0.88 TACR1 (1.00) TACR1
SCHEMBL7419028 0.88 TACR1 (1.00) TACR1
SCHEMBL3519229 0.86 TACR1 (0.83) TACR1
SCHEMBL7416208 0.86 TACR1 (0.75) TACR1
SCHEMBL7416264 0.86 TACR1 (0.81) TACR1
SCHEMBL3517101 0.86 TACR1 (0.81) TACR1
SCHEMBL9308928 0.84 TACR1 (0.79) 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