SCHEMBL4540460

SCHEMBL4540460

O=C(O)N1CCC(C2OCc3cc(-c4ccc(C(=O)N5CCOCC5)nc4)ccc3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTR2B P41595 1/20 0.39
GRM5 P41594 1/20 0.37
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
NR3C1 P04150 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTOR P42345 1/20 0.35
SLC8A1 P32418 2/20 0.35
MAPK1 P28482 1/20 0.35
PIK3CA P42336 1/20 0.34
TSHR P16473 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL4538191 0.91 TNKS (0.41) SMN1; SMN2HTR2BNPC1RAB9AKDM4E
SCHEMBL4353573 0.89 SMN1; SMN2 (0.41) SMN1; SMN2GRM5NPC1RAB9ATP53
SCHEMBL4521195 0.88 GPR119 (0.42) SMN1; SMN2NR3C1
SCHEMBL4533028 0.86 HPGD (0.41) HPGDALDH1A1PIK3CA
SCHEMBL4351323 0.85 HRH3 (0.45) SMN1; SMN2GRM5RAB9AHPGDKDM4E
SCHEMBL4355462 0.83 POLB (0.42) SMN1; SMN2HTR2BNPC1RAB9AKDM4E
SCHEMBL4362448 0.81 TNKS (0.44) SMN1; SMN2HTR2BNPC1RAB9AMTOR
SCHEMBL4356487 0.81 ROCK2 (0.36) MTORPIK3CA
SCHEMBL4355330 0.80 GPR119 (0.39) HTR2BMTORSLC8A1PIK3CA
SCHEMBL4348683 0.80 TNKS (0.41) SMN1; SMN2HTR2BNPC1RAB9AMTOR

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