SCHEMBL9587793

SCHEMBL9587793

CC(N)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ENPP2 Q13822 1/20 0.37
SIRT2 Q8IXJ6 14/20 0.36
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
KCNN4 O15554 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TRPM2 O94759 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
ERBB2 P04626 1/20 0.31
TP53 P04637 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL8803490 0.87 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2SIRT2KMT2A
SCHEMBL1039275 0.84 CYP11B1 (0.41) CYP11B1CYP11B2ENPP2SIRT2KMT2A
SCHEMBL4007072 0.83 TAAR1 (0.40) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL9587597 0.83 SIRT2 (0.38) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL4025463 0.81 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2KMT2A
SCHEMBL14290021 0.81 SIRT2 (0.37) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL8497835 0.80 CYP11B1 (0.38) CYP11B1CYP11B2ENPP2SIRT2KMT2A
SCHEMBL7451968 0.80 CYP11B1 (0.38) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL4002334 0.80 CYP11B1 (0.38) CYP11B1CYP11B2ENPP2SIRT2CYP3A4
SCHEMBL9073618 0.80 CYP11B1 (0.38) CYP11B1CYP11B2ENPP2SIRT2

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
US-5256780-A Serotonin antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed