SCHEMBL8913611

SCHEMBL8913611

CCCCCN(CCCCC)C(=O)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)NCCCN(CC)CC)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 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
SCHEMBL8914398 0.86 TACR1 (1.00) TACR1
SCHEMBL8914637 0.85 TACR1 (1.00) TACR1
SCHEMBL8914640 0.85 TACR1 (1.00) TACR1
SCHEMBL3517349 0.83 TACR1 (1.00) TACR1
SCHEMBL7381227 0.83 TACR1 (1.00) TACR1
SCHEMBL8913531 0.83 TACR1 (0.82) TACR1
SCHEMBL9222449 0.82 TACR1 (0.96) TACR1
SCHEMBL3514375 0.82 TACR1 (0.96) TACR1
SCHEMBL8913607 0.81 TACR1 (1.00) TACR1
SCHEMBL8913784 0.80 TACR1 (0.90) 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-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO claimed
US-5610165-A N-acylpiperidine tachykinin antagonists MERCK & CO., INC. (US) 1997-03-11 US disclosed
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO disclosed