SCHEMBL4644016

SCHEMBL4644016

Cc1cc(F)ccc1-c1ccc(OC(=O)Nc2ccc3nc(N(C)CCN(C)C)sc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 3/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.42
TMPRSS15 P98073 2/20 0.41
MCHR1 Q99705 7/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 2/20 0.39

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
SCHEMBL4641355 0.93 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4641601 0.92 MAPT (0.43) SMN1; SMN2KMT2AMAPTTMPRSS15MCHR1
SCHEMBL4643663 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4643038 0.91 MCHR1 (0.48) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4641244 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4647199 0.89 MCHR1 (0.46) MAPTTMPRSS15MCHR1LMNA
SCHEMBL5247985 0.87 MCHR1 (0.51) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4641593 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTTMPRSS15
SCHEMBL4643578 0.84 MCHR1 (0.44) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4641406 0.84 MAPT (0.42) ALDH1A1SMN1; SMN2HTTKMT2AMAPT

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-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed