SCHEMBL8991937

SCHEMBL8991937

O=C1CCCC(CC[N+]23CCC(c4ccccc4)(CC2)CC3)(c2ccc(Cl)c(Cl)c2)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.48
TACR2 P21452 2/20 0.45
TACR3 P29371 2/20 0.45

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
Water SCHEMBL8840361 0.98 TACR1 (0.47) TACR1TACR2TACR3
SCHEMBL8991942 0.95 TACR1 (0.53) TACR1TACR2TACR3
Water SCHEMBL8840295 0.94 TACR1 (0.52) TACR1TACR2TACR3
SCHEMBL7764281 0.91 CCR5 (0.46) TACR1TACR2TACR3
SCHEMBL8992082 0.91 TACR1 (0.52) TACR1TACR2TACR3
Hydrochloric Acid SCHEMBL8840285 0.90 TACR1 (0.51) TACR1TACR2TACR3
Water SCHEMBL8840276 0.90 CCR5 (0.46) TACR1TACR2TACR3
SCHEMBL8991919 0.85 TACR1 (0.42) TACR1TACR2TACR3
Hydrochloric Acid SCHEMBL7751880 0.85 TACR1 (0.39) TACR1TACR2TACR3
Water SCHEMBL9075386 0.85 TACR1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723959-A1 Heterocyclic compounds as tachykinin receptor antagonists, process for their preparation and pharmaceuticals containing them SANOFI (FR) 1996-07-31 EP disclosed