SCHEMBL7233757

SCHEMBL7233757

N=C(N)c1c[nH]c2ccc(CCNC(=O)c3ccc(C4CCC(=O)NC4)cc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
SNCA P37840 9/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP25 Q9UHP3 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL7222939 0.90 TRPV1 (0.43) TRPV1SNCALMNAL3MBTL1KMT2A
SCHEMBL7231259 0.85 TRPV1 (0.48) TRPV1SNCALMNAL3MBTL1USP25
SCHEMBL7224296 0.84 TRPV1 (0.46) TRPV1SNCA
SCHEMBL7232847 0.83 HAT1 (0.52) TRPV1SNCALMNAL3MBTL1USP25
SCHEMBL7222496 0.83 TRPV1 (0.46) TRPV1SNCALMNAL3MBTL1ITGB3
SCHEMBL7224015 0.82 TRPV1 (0.44) TRPV1SNCALMNAL3MBTL1KMT2A
SCHEMBL7222215 0.82 TRPV1 (0.47) TRPV1SNCALMNAL3MBTL1KMT2A
SCHEMBL7224364 0.82 HAT1 (0.47) TRPV1SNCALMNAL3MBTL1KMT2A
SCHEMBL7231452 0.80 TRPV1 (0.46) TRPV1SNCALMNAL3MBTL1POLB
SCHEMBL7222947 0.79 SNCA (0.60) SNCAKMT2AMEN1

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-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US claimed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed