SCHEMBL8346929

SCHEMBL8346929

Cc1cc(C)cc(CN(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2N(S(C)(=O)=O)c3ccccc3C23CCNCC3)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.56
TACR2 P21452 8/20 0.56
CCKBR P32239 1/20 0.42
GHSR Q92847 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
SCHEMBL8345132 0.96 TACR1 (0.53) TACR1TACR2CCKBRGHSR
SCHEMBL8348040 0.95 TACR1 (0.51) TACR1TACR2CCKBR
SCHEMBL8343109 0.93 TACR1 (0.55) TACR1TACR2CCKBR
SCHEMBL8345542 0.93 TACR1 (0.55) TACR1TACR2CCKBR
SCHEMBL8349377 0.93 TACR1 (0.48) TACR1TACR2CCKBRGHSR
SCHEMBL8344898 0.89 TACR1 (0.52) TACR1TACR2CCKBR
SCHEMBL8343307 0.85 ITGB2 (0.50) GHSR
SCHEMBL8345475 0.85 TACR1 (0.42) TACR1TACR2GHSR
SCHEMBL8343694 0.84 TACR1 (0.59) TACR1TACR2CCKBR
SCHEMBL8346758 0.83 TACR1 (0.51) TACR1TACR2GHSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869489-A TREATMENT OF INFLAMMATORY DISEASES, MIGRAINES AND ASTHMA MERCK & CO., INC. (US) 1999-02-09 US disclosed