SCHEMBL14918285

SCHEMBL14918285

O=C1C(Br)CCCN1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
HTR2C P28335 6/20 0.39
HTR2B P41595 5/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
TP53 P04637 1/20 0.35
HTR2A P28223 2/20 0.32
PARP1 P09874 1/20 0.31
TYMP P19971 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9077957 0.87 NOS1 (0.38) NOS3NOS1ALDH1A1
SCHEMBL9077959 0.87 NOS1 (0.38) NOS3NOS1ALDH1A1
SCHEMBL9077956 0.87 NOS1 (0.38) NOS3NOS1ALDH1A1
SCHEMBL5380207 0.79 HTR2C (0.39) FPR2HTR2CHTR2BNOS3NOS1
SCHEMBL12306396 0.79 FPR2 (0.36) FPR2HTR2CHTR2BTP53HTR2A
SCHEMBL23336233 0.79 FPR2 (0.39) FPR2HTR2CHTR2BNOS3NOS1
SCHEMBL2457242 0.79 FPR2 (0.36) FPR2HTR2CHTR2BTP53HTR2A
Hydrochloric Acid SCHEMBL23297036 0.77 FPR2 (0.39) FPR2HTR2CHTR2BNOS3NOS1
SCHEMBL2598576 0.75 NOS3 (0.30) NOS3NOS1
SCHEMBL7516937 0.74 MEN1 (0.37) FPR2ALDH1A1

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-2013066869-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-10 WO disclosed