SCHEMBL12178131

SCHEMBL12178131

O=C(C1CCN(c2ccc3nc(OC4CCNCC4)sc3c2)CC1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
CNR2 P34972 1/20 0.43
HTT P42858 3/20 0.43
STAT3 P40763 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL12177979 0.92 MAPT (0.43) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL2593020 0.83 MAPT (0.46) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL2588599 0.74 MAPT (0.48) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL493454 0.69 CHRNB2 (0.62) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL3109609 0.68 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL2591580 0.68 CHRNB2 (0.60) SMN1; SMN2ALDH1A1LMNAHTTHPGD
Ammonia Solution, Strong SCHEMBL1764234 0.68 CHRNB2 (0.60) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL2591565 0.67 ACACB (0.53) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14718387 0.67 QDPR (0.36) MAPTSMN1; SMN2ALDH1A1
SCHEMBL13178107 0.67 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1LMNAHTT

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-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed