SCHEMBL8913852

SCHEMBL8913852

COc1ccccc1CN(C)CCNC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)N(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.84
APP P05067 1/20 0.40

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
SCHEMBL8913837 1.00 TACR1 (0.84) TACR1APP
SCHEMBL8917231 0.95 TACR1 (0.88) TACR1APP
SCHEMBL8915880 0.94 TACR1 (0.89) TACR1
SCHEMBL8915177 0.92 TACR1 (1.00) TACR1
SCHEMBL8915244 0.90 TACR1 (1.00) TACR1
SCHEMBL8915104 0.89 TACR1 (1.00) TACR1
SCHEMBL8913607 0.83 TACR1 (1.00) TACR1
SCHEMBL7416908 0.83 TACR1 (0.88) TACR1
SCHEMBL8913780 0.80 TACR1 (1.00) TACR1
SCHEMBL8914059 0.78 TACR1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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