SCHEMBL13637434

SCHEMBL13637434

Cc1cc(F)ccc1[C@H]1C[C@H](C(=O)C(C)O)CCN1C(=O)N(C)[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.78
CYP3A4 P08684 2/20 0.69
SIGMAR1 Q99720 2/20 0.69
PTAFR P25105 1/20 0.64

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
SCHEMBL13637432 1.00 TACR1 (0.78) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13637433 1.00 TACR1 (0.78) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627747 0.91 TACR1 (0.79) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627749 0.91 TACR1 (0.79) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627532 0.88 TACR1 (0.83) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627535 0.88 TACR1 (0.83) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13451392 0.88 TACR1 (0.83) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627745 0.88 TACR1 (0.75) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3153817 0.88 TACR1 (0.75) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627746 0.88 TACR1 (0.75) TACR1CYP3A4SIGMAR1PTAFR

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
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed