SCHEMBL4750277

SCHEMBL4750277

CCN1CCc2cc(-c3ccccc3)nc(C)c2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
KDM4E B2RXH2 4/20 0.39
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 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
SCHEMBL4747714 0.74 MAPK1 (0.39) KDM4EALDH1A1HPGDKMT2AMAPT
Hydrochloric Acid SCHEMBL11486011 0.70 PNMT (0.49) PNMT
SCHEMBL4072415 0.69 KDM4E (0.42) KDM4EALDH1A1KMT2AMAPTNPSR1
SCHEMBL6369738 0.69 TMEM97 (0.57) PNMTCHRM2CHRM4CHRM5CHRM1
SCHEMBL4064222 0.68 GRM5 (0.45) KDM4EALDH1A1HPGDKMT2ANPSR1
SCHEMBL6369527 0.67 HTR2C (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6369549 0.66 PNMT (0.55) PNMTKMT2A
SCHEMBL153999 0.66 MAOA (0.57) KDM4EALDH1A1
SCHEMBL31841937 0.66 MAOA (0.57) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11491868 0.65 PNMT (0.47) PNMTCHRM2CHRM4CHRM5CHRM1

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-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed