SCHEMBL8200367

SCHEMBL8200367

CN(Cc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.86
CCKBR P32239 1/20 0.67
TACR2 P21452 5/20 0.63
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
MMP14 P50281 1/20 0.60
CDK4 P11802 1/20 0.58
ALOX15 P16050 1/20 0.55

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
SCHEMBL8200364 1.00 TACR1 (0.86) TACR1CCKBRTACR2MMP9MMP8
SCHEMBL1388788 0.88 TACR1 (0.76) TACR1CCKBRTACR2
SCHEMBL3780103 0.87 MMP9 (0.77) TACR1CCKBRMMP9MMP8MMP14
SCHEMBL8343099 0.87 TACR1 (0.75) TACR1CCKBRTACR2
SCHEMBL8343097 0.87 TACR1 (0.75) TACR1CCKBRTACR2
SCHEMBL6438893 0.85 TACR1 (0.69) TACR1CCKBRMMP9MMP8MMP14
SCHEMBL7193888 0.85 TACR1 (0.69) TACR1CCKBRMMP9MMP8MMP14
SCHEMBL9270140 0.84 TACR1 (1.00) TACR1CCKBRTACR2
SCHEMBL2680253 0.84 MMP2 (0.72) TACR1CCKBRMMP9MMP8MMP14
SCHEMBL26647227 0.83 MMP9 (0.61) TACR1MMP9MMP8MMP14ALOX15

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 8 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
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US 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