SCHEMBL7854589

SCHEMBL7854589

Cc1cc(-c2ccc(C(=O)NCCc3ccc4[nH]cc(C#N)c4c3)cc2)cn(C(N)=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SNCA P37840 10/20 0.43
MAPT P10636 3/20 0.42
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
TRPV1 Q8NER1 1/20 0.40
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7851818 0.86 CDK4 (0.42) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7224485 0.81 SNCA (0.44) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7229744 0.80 SNCA (0.49) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7225068 0.79 SNCA (0.49) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7229562 0.79 SNCA (0.46) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7223379 0.78 SNCA (0.44) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7231199 0.78 SNCA (0.49) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7224390 0.78 CDK4 (0.53) SNCACDK4CCND1TRPV1POLB
SCHEMBL7231644 0.77 SNCA (0.42) SNCAMAPTCDK4CCND1TRPV1
SCHEMBL7222956 0.77 MAPT (0.55) SNCAMAPTCDK4CCND1TRPV1

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
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed