SCHEMBL847374

SCHEMBL847374

O=C(Nc1ccc2cc(F)ccc2n1)c1ccc(NCC2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
HTR2C P28335 1/20 0.44
MCHR1 Q99705 1/20 0.44
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
TRPV1 Q8NER1 2/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
S1PR1 P21453 1/20 0.41
ADCY1 Q08828 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
CCNK O75909 1/20 0.39
CDK9 P50750 1/20 0.39
PIK3CA P42336 1/20 0.39
ACKR3 P25106 1/20 0.39
POLB P06746 1/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL846670 0.84 TRPV1 (0.55) NAMPTHTR2CMCHR1CTSLCTSS
SCHEMBL847375 0.78 TRPV1 (0.58) HTR2CMCHR1TRPV1NPC1RAB9A
SCHEMBL860045 0.78 TRPV1 (0.48) NAMPTTRPV1NPC1S1PR1CTNNB1
SCHEMBL846639 0.75 RAB9A (0.59) HTR2CMCHR1NPC1RAB9APOLB
SCHEMBL847747 0.75 TRPV1 (0.52) HTR2CMCHR1TRPV1NPC1RAB9A
SCHEMBL845830 0.75 TRPV1 (0.52) HTR2CMCHR1TRPV1NPC1RAB9A
SCHEMBL847005 0.75 TRPV1 (0.72) TRPV1NPC1RAB9A
SCHEMBL846060 0.75 TRPV1 (0.72) TRPV1NPC1RAB9A
SCHEMBL847493 0.74 TRPV1 (0.70) TRPV1NPC1RAB9A
SCHEMBL846515 0.73 TRPV1 (0.48) NAMPTTRPV1NPC1RAB9AS1PR1

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-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed