SCHEMBL9056436

SCHEMBL9056436

COc1ccc(OC)c(C(CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC(N3CCCCC3)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.81

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
SCHEMBL9055306 0.92 TACR1 (0.80) TACR1
SCHEMBL9056218 0.92 TACR1 (0.82) TACR1
SCHEMBL9054662 0.91 TACR1 (0.88) TACR1
SCHEMBL9054625 0.90 TACR1 (1.00) TACR1
SCHEMBL9054366 0.88 TACR1 (1.00) TACR1
SCHEMBL9055292 0.88 TACR1 (0.81) TACR1
SCHEMBL9054614 0.87 TACR1 (0.79) TACR1
SCHEMBL9057008 0.87 TACR1 (0.91) TACR1
SCHEMBL9055534 0.87 TACR1 (0.75) TACR1
SCHEMBL9055978 0.87 TACR1 (0.80) TACR1

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