SCHEMBL7267315

SCHEMBL7267315

COc1cc(C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.43
DPP8 Q6V1X1 2/20 0.43
ANPEP P15144 1/20 0.42
ROCK2 O75116 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PREP P48147 1/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL11121066 0.86 KDM4E (0.47) ROCK2KDM4E
Hydrochloric Acid SCHEMBL7267342 0.85 KDM4E (0.47) ROCK2KDM4E
SCHEMBL7610256 0.82 ALDH1A1 (0.42) DPP4DPP8ROCK2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3847558 0.81 ALDH1A1 (0.42) DPP4DPP8ROCK2KMT2AALDH1A1
SCHEMBL8535632 0.81 DPP4 (0.54) DPP4DPP8ANPEP
SCHEMBL8393442 0.81 DPP4 (0.54) DPP4DPP8ANPEP
Hydrochloric Acid SCHEMBL27541624 0.80 DPP4 (0.54) DPP4DPP8ANPEPPREP
SCHEMBL1006699 0.76 DPP8 (0.47) DPP4DPP8
SCHEMBL9643299 0.72 AAK1 (0.50) ROCK2KDM4E
SCHEMBL4614497 0.72 AAK1 (0.50) ROCK2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613879-B1 Of given formula; produrg which can be converted to a drug by fibroblast activation protein (FAP); cytotoxic; antiproliferative and anticarcinogenic agent BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-02 US disclosed
EP-1180116-A2 FAP-ACTIVATED ANTI-TUMOR COMPOUNDS Boehringer Ingelheim Pharma KG (DE) 2002-02-20 EP disclosed
WO-2000071571-A2 FAP-ACTIVATED ANTI-TUMOR COMPOUNDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-11-30 WO disclosed