SCHEMBL11114801

SCHEMBL11114801

Cc1cccc(C)c1N(C(=O)C1(N(C)C)CCNCC1)c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.35
OPRM1 P35372 4/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA5 P31644 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
SCHEMBL11117599 0.73 LMNA (0.43) SCN4AOPRM1HTR2C
SCHEMBL11119013 0.72 MEN1 (0.38) SCN4AOPRM1ALDH1A1TSHRMEN1
SCHEMBL11113548 0.72 SCN4A (0.39) SCN4AOPRM1CYP3A4HTR2CKCNH2
SCHEMBL11116061 0.71 SCN4A (0.40) SCN4AOPRM1HTR2C
SCHEMBL11116317 0.70 SCN4A (0.39) SCN4AOPRM1
SCHEMBL11115855 0.70 KDM4E (0.40) OPRM1ALDH1A1
SCHEMBL10500113 0.70 SCN4A (0.39) SCN4AOPRM1
SCHEMBL11115188 0.69 SCN4A (0.39) SCN4AOPRM1MEN1KMT2A
SCHEMBL11116215 0.69 SCN4A (0.39) SCN4AOPRM1HTR2C
SCHEMBL11111207 0.69 SCN4A (0.39) SCN4AOPRM1HTR2C

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-0121972-A2 N-aryl-alpha-amino-carboxamides JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-17 EP disclosed