SCHEMBL6563734

SCHEMBL6563734

CC(=O)N(Cc1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.45
F2 P00734 9/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
ACACB O00763 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSPO P30536 2/20 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
SCHEMBL6563677 0.85 MRGPRX1 (0.43) F2MRGPRX1ACACB
SCHEMBL6563835 0.85 MEN1 (0.52) LTB4R2MEN1NPC1KMT2AALDH1A1
SCHEMBL6561886 0.82 PLAU (0.53) F2NPC1KMT2AMRGPRX1ACACB
SCHEMBL6563625 0.80 PRSS1 (0.43) F2MRGPRX1ALDH1A1
SCHEMBL6561827 0.80 MRGPRX1 (0.51) F2MRGPRX1
SCHEMBL6565256 0.78 AKR1C3 (0.44) F2MRGPRX1ALDH1A1
SCHEMBL6563743 0.76 PRSS1 (0.43) F2ACACB
SCHEMBL6563916 0.75 TMPRSS6 (0.47) F2MEN1KMT2AMRGPRX1ALDH1A1
SCHEMBL6563461 0.73 PRSS1 (0.49) F2MRGPRX1
SCHEMBL7673744 0.73 ASIC3 (0.40) F2MRGPRX1

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