SCHEMBL9054366

SCHEMBL9054366

COc1cccc(C(CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC(N3CCCCC3)CC2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL9057008 0.95 TACR1 (0.91) TACR1
SCHEMBL9054625 0.94 TACR1 (1.00) TACR1
SCHEMBL9054662 0.94 TACR1 (0.88) TACR1
SCHEMBL9055599 0.91 TACR1 (0.83) TACR1
SCHEMBL9056218 0.90 TACR1 (0.82) TACR1
SCHEMBL9055292 0.88 TACR1 (0.81) TACR1
SCHEMBL9056436 0.88 TACR1 (0.81) TACR1
SCHEMBL9055875 0.86 TACR1 (0.86) TACR1
SCHEMBL9056719 0.86 TACR1 (0.86) TACR1
SCHEMBL9055163 0.85 TACR1 (1.00) 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