SCHEMBL4529914

SCHEMBL4529914

O=C(OCc1ccccc1)N1CCC(C2OCc3cc(Br)ccc3O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRIN2B Q13224 9/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 3/20 0.41
ENPP2 Q13822 1/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PDE4B Q07343 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
SCHEMBL4533655 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4526460 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4530032 0.82 ALDH1A1 (0.34) NPC1RAB9AKMT2AFAAHALDH1A1
SCHEMBL4520359 0.82 L3MBTL3 (0.43) CYP2C19KMT2AALDH1A1
SCHEMBL4355143 0.82 GPR119 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4351624 0.82 ENPP2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4536272 0.81 KMT2A (0.43) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4352115 0.80 GPR119 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4350085 0.80 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4536182 0.80 GPR119 (0.45) NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed