SCHEMBL5563297

SCHEMBL5563297

Cc1cc(NC(=O)C2(N)CCOC2)ccc1N1CCCCN1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
DGAT1 O75907 1/20 0.35
ROCK2 O75116 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 2/20 0.33
MITF O75030 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
SCHEMBL5217193 0.81 F10 (0.40) GAACNR1CNR2HPGDMAPT
SCHEMBL3998054 0.79 F10 (0.52) F10
SCHEMBL5504063 0.78 F10 (0.42) GAACNR1CNR2DGAT1F10
SCHEMBL4474943 0.78 F10 (0.43) GAACNR1CNR2L3MBTL1ITGA4
SCHEMBL6454489 0.77 CTSL (0.39) GAANPC1RAB9ANPSR1MAPT
SCHEMBL6454183 0.77 F10 (0.45) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL5506356 0.77 F10 (0.41) GAACNR1CNR2DGAT1F10
SCHEMBL5518249 0.75 F10 (0.42) GAACNR1CNR2F10
SCHEMBL5564338 0.75 RAB9A (0.33) GAANPC1RAB9AALDH1A1MAPT
SCHEMBL13012365 0.74 HTT (0.46) NPC1RAB9AALDH1A1NPSR1ROCK2

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-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed