SCHEMBL9063192

SCHEMBL9063192

CCOP(=O)(Cc1ccccc1)C[C@H](O)CNCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
DNM1 Q05193 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ANPEP P15144 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9063188 1.00 MEN1 (0.45) MEN1KMT2ADNM1SMN1; SMN2ANPEP
SCHEMBL2948432 0.81 MEN1 (0.53) MEN1KMT2ADNM1ANPEPGAA
SCHEMBL2948436 0.81 MEN1 (0.53) MEN1KMT2ADNM1ANPEPGAA
SCHEMBL2948433 0.81 MEN1 (0.53) MEN1KMT2ADNM1ANPEPGAA
Hydrochloric Acid SCHEMBL9063197 0.80 MEN1 (0.52) MEN1KMT2ADNM1ANPEPGAA
Hydrochloric Acid SCHEMBL9063195 0.80 MEN1 (0.52) MEN1KMT2ADNM1ANPEPGAA
SCHEMBL8976576 0.78 POLB (0.44) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL8751389 0.78 POLB (0.44) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL9195269 0.76 GAA (0.49) MEN1KMT2ADNM1SMN1; SMN2ANPEP
SCHEMBL9190379 0.76 GAA (0.49) MEN1KMT2ADNM1SMN1; SMN2ANPEP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545631-A GAMMA-AMINOBUTYRIC ACID ANTAGONIST; TREATS PETIT-MAL TYPE EPILEPSIES CIBA-GEIGY CORPORATION (US) 1996-08-13 US disclosed
US-5407922-A GABA antagonists CIBA-GEIGY CORPORATION (US) 1995-04-18 US disclosed
US-5229379-A Gamma-aminobutyric acid antagonists CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed