SCHEMBL5322731

SCHEMBL5322731

CC(c1nc2ccccc2[nH]1)N1CC2C(CN(Cc3ccccc3)Cc3ccccc3)C2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 3/20 0.38
ALPL P05186 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.37
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KLK7 P49862 1/20 0.36
MLKL Q8NB16 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
HTT P42858 1/20 0.35

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 0.81 IDO1 (0.46) TAAR1KMT2AALPLMAPK1MAPT
SCHEMBL5321876 0.81 TAAR1 (0.48) TAAR1KMT2AALPLMAPK1MAPT
SCHEMBL4929684 0.70 MAPT (0.50) TAAR1KMT2AALPLMAPK1MAPT
SCHEMBL28722124 0.70 MAPT (0.52) TAAR1KMT2AALPLMAPK1MAPT
SCHEMBL4933877 0.69 BCHE (0.53) TAAR1KMT2AMAPK1MAPTIDO1
SCHEMBL25638545 0.66 TAAR1 (0.55) TAAR1KMT2AALPLMAPK1MAPT
SCHEMBL20281649 0.65 GRIN2B (0.43) TAAR1KMT2AALPLMAPK1MAPT
SCHEMBL5322728 0.65 GRM2 (0.51) LMNA
SCHEMBL6866040 0.65 TAAR1 (0.45) TAAR1KMT2AALPLMAPK1MAPT
SCHEMBL707879 0.64 BCHE (0.73) POLBSMN1; SMN2CYP3A4CYP2D6CYP2C9

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