SCHEMBL7419592

SCHEMBL7419592

CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(CCNCCCCc2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.69

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
SCHEMBL7420799 0.97 TACR1 (0.70) TACR1
SCHEMBL9308907 0.97 TACR1 (0.70) TACR1
SCHEMBL7424995 0.96 TACR1 (0.70) TACR1
SCHEMBL7424526 0.96 TACR1 (0.70) TACR1
SCHEMBL7472974 0.91 TACR1 (0.72) TACR1
SCHEMBL7421748 0.91 TACR1 (0.72) TACR1
SCHEMBL7421601 0.88 TACR1 (0.65) TACR1
SCHEMBL7415922 0.88 TACR1 (0.65) TACR1
SCHEMBL7418193 0.85 TACR1 (0.68) TACR1
SCHEMBL7418196 0.85 TACR1 (0.68) 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