SCHEMBL8198181

SCHEMBL8198181

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)O)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NMBR P28336 4/20 0.59
TACR1 P25103 8/20 0.54
TACR3 P29371 1/20 0.54

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
SCHEMBL8198180 1.00 NMBR (0.59) NMBRTACR1TACR3
SCHEMBL9085402 0.88 TACR1 (0.55) NMBRTACR1TACR3
SCHEMBL8203051 0.82 TACR1 (0.75) TACR1TACR3
SCHEMBL8200376 0.82 TACR1 (0.75) TACR1TACR3
SCHEMBL7641918 0.82 TACR1 (0.75) TACR1TACR3
SCHEMBL8829903 0.82 NMBR (0.60) NMBR
SCHEMBL8829899 0.82 NMBR (0.60) NMBR
SCHEMBL8488187 0.81 NMBR (0.50) NMBRTACR1
SCHEMBL1388680 0.81 KMT2A (0.48) NMBRTACR1
SCHEMBL9017344 0.80 NMBR (0.60) NMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP claimed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP claimed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO claimed
EP-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO disclosed