SCHEMBL7364482

SCHEMBL7364482

CCCCOC(=O)C(NC(=O)c1cc(Cc2cc(C(=O)N(CCc3ccccc3)C(=O)OCCCC)cc(C(=O)N(CCc3ccccc3)C(=O)OCCCC)c2)cc(C(=O)N(CCc2ccccc2)C(=O)OCCCC)c1)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 6/20 0.37
ANPEP P15144 3/20 0.37
CTSD P07339 2/20 0.36
AGTR2 P50052 2/20 0.35
RAB9A P51151 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 1/20 0.35
ERAP2 Q6P179 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7370637 0.81 AGTR2 (0.48) LNPEPANPEPCTSDAGTR2MEN1
SCHEMBL7365391 0.77 AGTR2 (0.44) LNPEPANPEPCTSDAGTR2MEN1
SCHEMBL7444103 0.77 AGTR2 (0.44) LNPEPANPEPCTSDAGTR2MEN1
SCHEMBL7363786 0.77 TSHR (0.41) RAB9AMEN1NPC1KMT2ACYP3A4
SCHEMBL7369520 0.74 ALDH1A1 (0.39) RAB9AMEN1NPC1KMT2ACYP3A4
SCHEMBL7365722 0.73 LNPEP (0.49) LNPEPANPEPAGTR2
SCHEMBL7369023 0.67 LNPEP (0.48) LNPEPANPEPAGTR2MEN1KMT2A
SCHEMBL7369823 0.66 TAS1R3 (0.52) TAS1R3TAS1R1
SCHEMBL8992625 0.66 ALDH1A1 (0.48) RAB9ANPC1KMT2ACYP3A4CYP2C9
SCHEMBL9115685 0.64 CTSL (0.58) RAB9AMEN1NPC1KMT2ACTSK

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-0920307-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-06-09 EP disclosed
WO-1998006386-A2 DERIVATES FROM BISARYLTETRACARBONACID, AND PHARMARCEUTICAL PRODUCT CONTAINING THEM ROCHE DIAGNOSTICS GMBH (DE) 1998-02-19 WO disclosed