SCHEMBL9411995

SCHEMBL9411995

O=C(C=Cc1cccc(Oc2ccccc2)c1)NC1CN2CCC1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRNA7 P36544 6/20 0.48
ALOX5 P09917 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR3E A5X5Y0 4/20 0.45
HTR3B O95264 4/20 0.45
HTR3A P46098 4/20 0.45
HTR3D Q70Z44 4/20 0.45
HTR3C Q8WXA8 4/20 0.45
KDM5A P29375 1/20 0.45

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
SCHEMBL9411988 0.90 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3HPGD
SCHEMBL5987493 0.88 TP53 (0.51) MEN1NPC1RAB9AKMT2ACHRNA7
SCHEMBL6153372 0.88 TP53 (0.51) MEN1NPC1RAB9AKMT2ACHRNA7
SCHEMBL5987496 0.88 TP53 (0.51) MEN1NPC1RAB9AKMT2ACHRNA7
SCHEMBL6153370 0.88 TP53 (0.51) MEN1NPC1RAB9AKMT2ACHRNA7
SCHEMBL374845 0.86 CHRNA7 (0.59) CHRNA7CHRM2CHRM1CHRM3HPGD
SCHEMBL6153288 0.86 CHRNA7 (0.59) CHRNA7CHRM2CHRM1CHRM3HPGD
SCHEMBL6153668 0.86 CHRNA7 (0.59) CHRNA7CHRM2CHRM1CHRM3HPGD
SCHEMBL374846 0.86 CHRNA7 (0.59) CHRNA7CHRM2CHRM1CHRM3HPGD
SCHEMBL6153661 0.86 CHRNA7 (0.59) CHRNA7CHRM2CHRM1CHRM3HPGD

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-0581165-A2 Acrylamide derivatives as antirussive agent DOMPE' FARMACEUTICI S.p.A. (IT) 1994-02-02 EP disclosed