SCHEMBL8915880

SCHEMBL8915880

COc1ccccc1CN(C)CCNC(=O)C1CC(C(=O)O)CCN1C(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.89
KMT2A Q03164 1/20 0.42

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
SCHEMBL8915104 0.94 TACR1 (1.00) TACR1KMT2A
SCHEMBL8913837 0.94 TACR1 (0.84) TACR1
SCHEMBL8913852 0.94 TACR1 (0.84) TACR1
SCHEMBL8913607 0.89 TACR1 (1.00) TACR1
SCHEMBL8917231 0.89 TACR1 (0.88) TACR1
SCHEMBL8915177 0.85 TACR1 (1.00) TACR1
SCHEMBL8915244 0.84 TACR1 (1.00) TACR1
SCHEMBL7418622 0.80 TACR1 (1.00) TACR1
SCHEMBL7416640 0.80 TACR1 (1.00) TACR1
SCHEMBL7416908 0.76 TACR1 (0.88) 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