SCHEMBL6561958

SCHEMBL6561958

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
F10 P00742 12/20 0.41
PRSS1 P07477 5/20 0.41
F2 P00734 6/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PLG P00747 2/20 0.37
PLAU P00749 2/20 0.37
PLAT P00750 2/20 0.37
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6561944 0.91 F10 (0.43) ACACBF10KMT2AHPGD
SCHEMBL6565351 0.91 F10 (0.44) ACACBF10PRSS1F2PRSS2
SCHEMBL5885702 0.90 ACACB (0.46) ACACBF10PRSS1KMT2AHPGD
Hydrochloric Acid SCHEMBL5886024 0.89 ACACB (0.46) ACACBF10PRSS1KMT2AHPGD
SCHEMBL6563220 0.89 HPGD (0.44) ACACBF10PRSS1MEN1KMT2A
SCHEMBL6563597 0.88 F10 (0.38) ACACBF10PRSS1F2PRSS2
SCHEMBL6565323 0.88 F7 (0.38) ACACBF10PRSS1F2PRSS2
SCHEMBL6563675 0.87 F10 (0.47) ACACBF10PRSS1MEN1KMT2A
SCHEMBL6561848 0.87 KDM1A (0.41) ACACBPRSS1F2PRSS2PRSS3
SCHEMBL6562282 0.86 PIK3CA (0.44) ACACBF10F2F7F3

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 6 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 claimed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US claimed
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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed