SCHEMBL845853

SCHEMBL845853

CCC(=O)N(c1ccc(CC2CCCCC2)cc1)c1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.42
METTL3 Q86U44 1/20 0.40
CCR3 P51677 1/20 0.39
OPRM1 P35372 6/20 0.39
CCR1 P32246 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL6385791 0.79 TRPV1 (0.37) TRPV1RAB9AMEN1NPC1ALDH1A1
SCHEMBL6388617 0.75 TRPV1 (0.42) TRPV1RAB9ALMNAPOLBTSHR
SCHEMBL6384532 0.74 TRPV1 (0.41) TRPV1RAB9ALMNAPOLBTSHR
SCHEMBL6382503 0.73 TRPV1 (0.51) TRPV1
Hydrochloric Acid SCHEMBL8829056 0.73 RAB9A (0.42) TRPV1RAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL846491 0.72 TRPV1 (0.71) TRPV1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL846426 0.72 RXRA (0.47) TRPV1RAB9ALMNAPOLBTSHR
SCHEMBL845852 0.71 MEN1 (0.57) TRPV1RAB9AMEN1NPC1ALDH1A1
SCHEMBL846632 0.70 DAGLA (0.42) RAB9AMEN1NPC1KMT2ALMNA
SCHEMBL13616 0.69 KDR (0.44) RAB9ANPC1ALDH1A1KMT2ASMN1; SMN2

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 disclosed