SCHEMBL7266753

SCHEMBL7266753

Cc1[nH]c2ccccc2c1-c1nsc(C2CN3CCC2CC3)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHEK1 O14757 2/20 0.37
IMPDH2 P12268 1/20 0.37
EIF2AK2 P19525 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL7318417 0.79 CHRNA7 (0.43) CHRNA7KDM4EALDH1A1HPGD
SCHEMBL9154899 0.76 CHRNA7 (0.54) CHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL9148174 0.75 CHRNA7 (0.53) CHRNA7MEN1KMT2A
Oxalic Acid SCHEMBL7274627 0.74
SCHEMBL9448855 0.73 CHRNA7 (0.49) CHRNA7
SCHEMBL7266751 0.72 CHRNA7 (0.41) CHRNA7
SCHEMBL9150768 0.70 CHRNA7 (0.42) CHRNA7
Oxalic Acid SCHEMBL7266936 0.68 CHRM2 (0.42) CHRNA7CYP1A2CYP2C9
SCHEMBL9148599 0.68 CHRNA7 (0.49) CHRNA7
SCHEMBL7273789 0.67 DHFR (0.39)

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
EP-0328200-A1 Five-membered ring systems with bonded azacyclic ring substituents MERCK SHARP & DOHME LTD. (GB) 1989-08-16 EP claimed