SCHEMBL7951014

SCHEMBL7951014

CC(Cc1c[nH]c2ccccc12)(NC(=O)OCc1cccc([N+](=O)[O-])c1)C(=O)NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.52
NMBR P28336 1/20 0.49
GRPR P30550 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6253241 1.00 TACR1 (0.52) TACR1NMBRGRPRMEN1KMT2A
SCHEMBL7177193 0.95 TACR1 (0.48) TACR1NMBRGRPR
SCHEMBL6250373 0.93 TACR1 (0.53) TACR1NMBRGRPR
SCHEMBL6255756 0.90 TACR1 (0.65) TACR1
SCHEMBL6254154 0.89 TACR1 (0.53) TACR1
SCHEMBL6251629 0.89 TACR1 (0.55) TACR1
SCHEMBL6253439 0.89 TACR1 (0.53) TACR1
SCHEMBL6251983 0.88 TACR1 (0.53) TACR1
SCHEMBL6254232 0.88 TACR1 (0.66) TACR1
SCHEMBL6250596 0.88 TACR1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed