SCHEMBL14775727

SCHEMBL14775727

CC(C)(c1ccc2c(n1)CC[C@@H](OC(=O)Nc1cnc3ccccc3c1)C2)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
TRPV1 Q8NER1 6/20 0.41
KDM4E B2RXH2 3/20 0.40
SCN9A Q15858 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 1/20 0.39
KDR P35968 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL14781427 0.86 TRPV1 (0.48) CNR2CNR1TRPV1KDM4ERAB9A
SCHEMBL1211511 0.86 TRPV1 (0.48) CNR2CNR1TRPV1KDM4ERAB9A
SCHEMBL14775950 0.77 RORC (0.33)
SCHEMBL14775763 0.77 RORC (0.33)
SCHEMBL8397726 0.75 TRPV1 (0.58) TRPV1KDM4ERAB9ANPC1POLB
SCHEMBL240482 0.70 TRPV1 (0.61) CNR2CNR1TRPV1KDM4ESCN9A
SCHEMBL537517 0.69 RORC (0.35) MAPT
SCHEMBL1208729 0.68 RORC (0.36) CNR2CNR1RAB9ANPC1
SCHEMBL1210282 0.68 RORC (0.36) CNR2CNR1RAB9ANPC1
SCHEMBL2054552 0.68 TRPV1 (0.37) TRPV1MAPT

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-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP claimed