SCHEMBL6561970

SCHEMBL6561970

CC1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
NAMPT P43490 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HRH3 Q9Y5N1 6/20 0.43
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.40
F2 P00734 1/20 0.40
GRM5 P41594 1/20 0.40
PREP P48147 1/20 0.40
DPP4 P27487 1/20 0.39
F11 P03951 1/20 0.39

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
SCHEMBL6565512 0.89 GAA (0.40) GAAHPGDNAMPTALDH1A1CA12
SCHEMBL6563029 0.88 ALDH1A1 (0.51) ALDH1A1CA2F2F11
SCHEMBL6565962 0.88 SPHK2 (0.41) NAMPTHSD11B1F2PREPDPP4
SCHEMBL6563770 0.86 SPHK1 (0.43) ALDH1A1F2F11
SCHEMBL6563261 0.86 HSD11B1 (0.38) GAAHPGDNAMPTALDH1A1CA12
SCHEMBL6565356 0.85 GAA (0.42) GAAHPGDNAMPTALDH1A1CA12
SCHEMBL6565248 0.83 GRM5 (0.56) HPGDALDH1A1CA12CA1CA2
SCHEMBL6563266 0.83 LRRK2 (0.42) GAAHPGDNAMPTALDH1A1CA12
SCHEMBL6563410 0.83 GAA (0.40) GAAHPGDNAMPTALDH1A1CA12
SCHEMBL6563675 0.83 F10 (0.47) HPGDALDH1A1GRM5

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed