SCHEMBL9054572

SCHEMBL9054572

FC(F)(F)c1cc(CNCCC(c2ccc(Cl)c(Cl)c2)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.66
MCHR1 Q99705 3/20 0.52
TACR2 P21452 1/20 0.48

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
SCHEMBL7926027 0.91 TACR1 (0.73) TACR1MCHR1
SCHEMBL7936441 0.85 TACR1 (0.71) TACR1
SCHEMBL7986893 0.83 TACR1 (0.63) TACR1
SCHEMBL9054577 0.80 TACR1 (0.74) TACR1TACR2
SCHEMBL7926223 0.80 TACR1 (1.00) TACR1
SCHEMBL7936444 0.79 TACR1 (0.67) TACR1MCHR1
SCHEMBL9054531 0.79 TACR1 (0.98) TACR1
SCHEMBL7987493 0.79 TACR1 (0.77) TACR1
SCHEMBL7989759 0.79 TACR1 (0.55) TACR1
SCHEMBL7936466 0.78 TACR1 (0.78) TACR1MCHR1

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
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed