SCHEMBL5321876

SCHEMBL5321876

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
IDO1 P14902 1/20 0.42
MLKL Q8NB16 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
KLK7 P49862 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL5329879 0.88 IDO1 (0.46) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL5322731 0.81 TAAR1 (0.39) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL28722124 0.76 MAPT (0.52) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL5330083 0.74 TAAR1 (0.38) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL4933877 0.74 BCHE (0.53) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL4929684 0.73 MAPT (0.50) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL1001310 0.70 TAAR1 (0.62) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL14029834 0.69 TAAR1 (0.56) TAAR1ALDH1A1POLBIDO1MLKL
SCHEMBL20281649 0.69 GRIN2B (0.43) TAAR1ALDH1A1POLBIDO1TSHR
SCHEMBL8330903 0.68 TAAR1 (0.68) TAAR1ALDH1A1POLBIDO1MLKL

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