SCHEMBL5329436

SCHEMBL5329436

Fc1ccc(NCCC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.48
OPRL1 P41146 6/20 0.43
NAMPT P43490 1/20 0.43
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.40
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
CTSS P25774 2/20 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
SCHEMBL4621542 0.90 NAMPT (0.46) NAMPTRAB9ANPC1EPHX1
SCHEMBL6224721 0.82 KDM1A (0.50) KLK7NAMPTRAB9ANPC1EPHX1
SCHEMBL23130390 0.81 KDM1A (0.51) OPRL1NAMPTRAB9ASMN1; SMN2NPC1
SCHEMBL22404280 0.81 KDM1A (0.53) KLK7EPHX1
SCHEMBL21266856 0.81 KDM1A (0.53) KLK7EPHX1
SCHEMBL1565671 0.81 RAB9A (0.44) KLK7RAB9APOLBSMN1; SMN2NPC1
SCHEMBL22414312 0.81 RAB9A (0.44) KLK7RAB9APOLBSMN1; SMN2NPC1
SCHEMBL22694642 0.81 KDM1A (0.53) KLK7EPHX1
SCHEMBL24767234 0.81 KDM1A (0.53) KLK7EPHX1
SCHEMBL1240996 0.80 NPC1 (0.44) KLK7OPRL1NAMPTRAB9ASMN1; 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
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed