SCHEMBL13666803

SCHEMBL13666803

Bc1ccc(C(=O)N2CCN(C)CC2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HRH4 Q9H3N8 2/20 0.52
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
POLB P06746 3/20 0.46
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ERN1 O75460 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL14549589 0.80 HRH4 (0.60) L3MBTL1ALDH1A1HRH4KMT2ACYP1A2
SCHEMBL1771402 0.80 KMT2A (0.59) L3MBTL1ALDH1A1HRH4KMT2ANPC1
SCHEMBL1772275 0.79 ERN1 (0.60) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20149733 0.75 PDE4B (0.65) L3MBTL1ALDH1A1HRH4NPC1RAB9A
SCHEMBL21717780 0.73 PDE4B (0.64) L3MBTL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL1372147 0.71 CYP1A2 (0.75) ALDH1A1CYP1A2SMN1; SMN2POLBALOX15
SCHEMBL10724841 0.70 POLB (0.81) L3MBTL1ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL4353375 0.70 HRH4 (0.49) L3MBTL1ALDH1A1HRH4KMT2ACYP1A2
SCHEMBL12311464 0.70 CHRNA4 (0.54) HRH4KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3754883 0.68 HRH3 (0.66) KMT2ACYP1A2CYP2C19NPC1CYP2D6

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-2107054-A1 Antiproliferative compounds and therapeutic uses thereof Università Degli Studi Di Milano - Bicocca (IT) 2009-10-07 EP disclosed