SCHEMBL9540336

SCHEMBL9540336

ClC1(Cl)C=CC2=C(C1)N=C1CCC(c3ccccc3)(c3ccccc3)CN1C2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.31
OPRM1 P35372 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 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
SCHEMBL8969927 0.70 ACHE (0.54) DRD4OPRM1MEN1CYP2C9KMT2A
SCHEMBL8969632 0.68 ACHE (0.40) DRD4OPRM1MEN1CYP2C9KMT2A
SCHEMBL8968484 0.68 ACHE (0.54) DRD4OPRM1MEN1CYP2C9KMT2A
SCHEMBL8968349 0.67 ACHE (0.53) DRD4MEN1KMT2A
SCHEMBL8969711 0.59 ACHE (0.43) DRD4OPRM1MEN1CYP2C9KMT2A
SCHEMBL8969749 0.58 ACHE (0.60) OPRM1MEN1CYP2C9KMT2A
SCHEMBL8968969 0.58 ACHE (0.49) MEN1KMT2A
SCHEMBL8969091 0.57 ACHE (0.60) DRD4OPRM1MEN1CYP2C9KMT2A
SCHEMBL8969701 0.56 ACHE (0.58) DRD4MEN1KMT2A
SCHEMBL4209029 0.55 OPRM1 (0.58) DRD4OPRM1CYP2C9

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-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed