SCHEMBL9066593

SCHEMBL9066593

Cc1c(F)c(N2CC[C@@H]3C[C@H](N)[C@@H]3C2)c(Cl)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
KCNH2 Q12809 9/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA1F O60840 1/20 0.46
MAPK1 P28482 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
GSK3B P49841 2/20 0.43
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
KDM4E B2RXH2 2/20 0.39
PRKD3 O94806 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
SCHEMBL7852288 1.00 POLB (0.53) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9066598 1.00 POLB (0.53) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9066506 0.93 MEN1 (0.54) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL7848648 0.93 MEN1 (0.54) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9066510 0.93 MEN1 (0.54) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL7852291 0.88 POLB (0.43) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL8111701 0.88 POLB (0.68) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9066469 0.86 MEN1 (0.58) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9066480 0.86 MEN1 (0.58) POLBALDH1A1OPRM1CHRM2CHRM1
SCHEMBL9066473 0.86 MEN1 (0.58) POLBALDH1A1OPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US claimed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed