SCHEMBL5329879

SCHEMBL5329879

CC(c1nc2ccccc2[nH]1)N1CC2C(CO)C2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MLKL Q8NB16 2/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.40
ALPL P05186 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
FPR1 P21462 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL5321876 0.88 TAAR1 (0.48) IDO1TAAR1MLKLKMT2AL3MBTL1
SCHEMBL5322731 0.81 TAAR1 (0.39) IDO1TAAR1MLKLKMT2ASMN1; SMN2
SCHEMBL28722124 0.76 MAPT (0.52) IDO1TAAR1MLKLKMT2ASMN1; SMN2
SCHEMBL4933877 0.74 BCHE (0.53) IDO1TAAR1MLKLKMT2ASMN1; SMN2
SCHEMBL4929684 0.73 MAPT (0.50) IDO1TAAR1MLKLKMT2ASMN1; SMN2
SCHEMBL18517361 0.72 CYP2D6 (0.52) KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL7098832 0.71 IDO1 (0.57) IDO1TAAR1MLKLKMT2AL3MBTL1
SCHEMBL4150713 0.68 OPRL1 (0.50) IDO1TAAR1MLKLALDH1A1POLB
SCHEMBL29537224 0.68 IDO1 (0.72) IDO1TAAR1MLKLKMT2AL3MBTL1
SCHEMBL2674618 0.68 IDO1 (0.72) IDO1TAAR1MLKLKMT2AL3MBTL1

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-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed