SCHEMBL5789138

SCHEMBL5789138

COc1ccc(C(=O)C2CCN(C(CN)Cc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HSD11B1 P28845 1/20 0.47
MGLL Q99685 1/20 0.47
MAPT P10636 1/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5790728 0.89 MGLL (0.59) SLC18A3POLBALDH1A1KMT2ALMNA
SCHEMBL5789497 0.89 HTR2A (0.54) ALDH1A1KMT2ASMN1; SMN2HSD11B1MGLL
SCHEMBL5791361 0.85 MEN1 (0.57) ALDH1A1KMT2ALMNARAB9AMAPT
SCHEMBL6007922 0.80 SLC18A3 (0.57) SLC18A3POLBALDH1A1KMT2ALMNA
SCHEMBL24359357 0.78 USP2 (0.60) SLC18A3POLBALDH1A1KMT2ALMNA
SCHEMBL30516673 0.78 SLC18A3 (0.74) SLC18A3POLBKMT2ALMNASMN1; SMN2
SCHEMBL5789773 0.77 L3MBTL1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL10340077 0.76 HTR2A (0.76) SLC18A3
Hydrochloric Acid SCHEMBL9649705 0.75 HTR2A (0.74) SLC18A3
SCHEMBL6210853 0.73 POLB (0.89) SLC18A3POLBALDH1A1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed