SCHEMBL18558196

SCHEMBL18558196

O=C(/N=C(\Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)NC1CCCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.42
TRPV1 Q8NER1 3/20 0.40
RAB9A P51151 4/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
TNIK Q9UKE5 1/20 0.37
NPC1 O15118 3/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL18558447 0.98 CRHR1 (0.42) CRHR1TRPV1RAB9AKDRFLT3
SCHEMBL18558306 0.91 RAB9A (0.46) CRHR1RAB9AKDRFLT3NPC1
SCHEMBL17089670 0.88 ALDH1A1 (0.45) CRHR1TRPV1RAB9AFLT3NPC1
SCHEMBL18558357 0.87 RAB9A (0.39) RAB9AKDRFLT3NPC1MAPT
SCHEMBL18558518 0.85 RAB9A (0.54) CRHR1RAB9AKDRFLT3NPC1
SCHEMBL18558475 0.85 KCNH2 (0.44) RAB9ANPC1CCNA2CDK2CCNA1
SCHEMBL9921043 0.85 STK25 (0.43) TRPV1CCNA2CDK2CCNA1
SCHEMBL18558215 0.84 CRHR1 (0.39) CRHR1RAB9AKDRFLT3NPC1
SCHEMBL18558171 0.84 RAB9A (0.40) CRHR1RAB9AKDRFLT3NPC1
SCHEMBL18558478 0.83 CRHR1 (0.39) CRHR1TRPV1RAB9AKDRFLT3

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-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed