SCHEMBL4538191

SCHEMBL4538191

CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCN(C(=O)O)CC3)O4)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.41
HTR2B P41595 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE7A Q13946 2/20 0.36
MTOR P42345 2/20 0.36
SLC8A1 P32418 2/20 0.35
ROCK2 O75116 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
PIK3CA P42336 2/20 0.34
MGLL Q99685 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL4355462 0.92 POLB (0.42) TNKSHTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL4540460 0.91 SMN1; SMN2 (0.43) HTR2BNPC1RAB9ASMN1; SMN2MTOR
SCHEMBL4362448 0.90 TNKS (0.44) TNKSHTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL4355330 0.89 GPR119 (0.39) TNKSHTR2BPDE7AMTORSLC8A1
SCHEMBL4348683 0.89 TNKS (0.41) TNKSHTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL4351738 0.88 TNKS (0.38) TNKSHTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL4355344 0.88 GPR119 (0.43) TNKSGPR119SCD5
SCHEMBL4357683 0.86 POLB (0.48) TNKSSMN1; SMN2ROCK2BMPR1BBMPR1A
SCHEMBL4536116 0.85 STAT3 (0.43) ROCK2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL4356487 0.83 ROCK2 (0.36) PDE7AMTORROCK2PIK3CAKCNH2

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