SCHEMBL6950402

SCHEMBL6950402

CC(=O)NC1(c2ccccc2)CCN(CCC(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.61
TACR2 P21452 13/20 0.61
TACR3 P29371 2/20 0.52

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
SCHEMBL7873214 0.89 TACR1 (0.59) TACR1TACR2TACR3
SCHEMBL8482762 0.88 TACR1 (0.63) TACR1TACR2TACR3
SCHEMBL8483554 0.86 TACR2 (0.68) TACR1TACR2TACR3
SCHEMBL8479221 0.86 TACR2 (0.67) TACR1TACR2TACR3
SCHEMBL8481894 0.86 TACR2 (0.65) TACR1TACR2TACR3
SCHEMBL8481895 0.84 TACR3 (0.48) TACR1TACR2TACR3
SCHEMBL8484386 0.84 TACR2 (0.60) TACR1TACR2TACR3
SCHEMBL8482847 0.84 TACR2 (0.66) TACR1TACR2TACR3
SCHEMBL8481916 0.84 TACR1 (0.62) TACR1TACR2TACR3
SCHEMBL7870009 0.83 TACR2 (0.73) TACR1TACR2TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8208606-A None JP disclosed
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 EP disclosed
US-6008223-A ANTIINFLAMMATORY AGENTS FOR TREATING ASTHMA ZENECA LIMITED (GB) 1999-12-28 US disclosed
US-5731309-A Substituted heteroalkyleneamine neurokinin antagonists ZENECA LIMITED (GB) 1998-03-24 US disclosed
JP-H08208606-A COMPOUND FOR THERAPEUTIC USE ZENECA LTD 1996-08-13 JP disclosed