SCHEMBL16624095

SCHEMBL16624095

CC(C)N1CCc2c([nH]c3cc(C(F)(F)F)ccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
TRPV1 Q8NER1 6/20 0.44
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL18034955 0.85 KDM4E (0.59) KIF11TRPV1MAPK10RIPK1KDM4E
SCHEMBL17993837 0.82 ADRA1A (0.45) TRPV1KDM4EMCHR1
SCHEMBL17993835 0.81 KDM4E (0.46) TRPV1KDM4E
SCHEMBL16624295 0.80 MEN1 (0.45) TRPV1MAPK10RIPK1KDM4EMCHR1
SCHEMBL18033535 0.80 KDM4E (0.44) TRPV1KDM4EMCHR1MAPT
SCHEMBL5378477 0.79 TRPV1 (0.57) TRPV1
SCHEMBL2190132 0.77 CHRNA7 (0.59) KIF11MAPK10RIPK1ALDH1A1KDM4E
SCHEMBL16624099 0.77 HTR7 (0.58) TRPV1ALDH1A1KDM4EMAPT
SCHEMBL8261111 0.76 KDM4E (0.69) TRPV1KDM4E
SCHEMBL16624301 0.74 BAZ2B (0.54) KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO disclosed