SCHEMBL4445453

SCHEMBL4445453

CC1Oc2cccc(NC(=O)/C=C3\CCCOc4cc(C(F)(F)F)ccc43)c2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.36
CTSL P07711 5/20 0.34
CTSV O60911 1/20 0.34
CTSB P07858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CTSS P25774 1/20 0.34
KDM4E B2RXH2 1/20 0.33
FFAR3 O14843 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1450725 0.83 TRPV1 (0.44) TRPV1
SCHEMBL1450728 0.83 TRPV1 (0.44) TRPV1
SCHEMBL3603202 0.83 TRPV1 (0.42) TRPV1CTSLCTSVCTSBCYP3A4
SCHEMBL3592359 0.81 TRPV1 (0.41) TRPV1
SCHEMBL3599187 0.79 TRPV1 (0.46) TRPV1
SCHEMBL1451749 0.79 TRPV1 (0.38) TRPV1CTSLCTSVCTSBCYP3A4
SCHEMBL1451741 0.79 TRPV1 (0.38) TRPV1CTSLCTSVCTSBCYP3A4
SCHEMBL1451139 0.79 TRPV1 (0.39) TRPV1CTSLCTSVCTSBCYP3A4
SCHEMBL3600347 0.79 TRPV1 (0.42) TRPV1
SCHEMBL1451625 0.78 TRPV1 (0.45) TRPV1CTSLCTSVCTSBCYP3A4

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-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed