SCHEMBL5543765

SCHEMBL5543765

Nc1ccc(C2=CCNC(Cc3ccccc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAOB P27338 4/20 0.36
MAOA P21397 2/20 0.36
HTR6 P50406 1/20 0.35
CYP3A4 P08684 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL5265951 0.90 POLB (0.44) POLBMEN1KMT2A
SCHEMBL6961333 0.86 POLB (0.39) POLBMEN1KMT2A
SCHEMBL7444323 0.86 POLB (0.41) POLBMEN1KMT2A
SCHEMBL7561336 0.82 MEN1 (0.41) MEN1KMT2A
SCHEMBL6504166 0.79 POLB (0.34) POLBTDP1MEN1KMT2ANOS1
SCHEMBL6506502 0.79 POLB (0.35) POLBMEN1KMT2ANOS1NOS2
SCHEMBL6683579 0.78 POLB (0.37) POLBMEN1KMT2A
SCHEMBL7562738 0.77 POLB (0.36) POLBMAOBMEN1KMT2A
SCHEMBL8370371 0.77 ESR2 (0.43) CYP3A4
SCHEMBL8371294 0.77 CYP2A6 (0.35) POLBMAOBTDP1MEN1KMT2A

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-1751131-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-14 EP disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 WO disclosed