SCHEMBL8650581

SCHEMBL8650581

Cc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCN)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPOR P19235 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8650060 0.92 TDP1 (0.41) TDP1MEN1KMT2AEPORHTR2A
SCHEMBL8525859 0.91 TDP1 (0.40) TDP1MEN1KMT2AEPORHTR2A
SCHEMBL8126608 0.90 TDP1 (0.41) TDP1MEN1KMT2AEPORCNR1
SCHEMBL8127789 0.88 TDP1 (0.46) TDP1MEN1KMT2AHTTNPSR1
SCHEMBL8119409 0.86 EPOR (0.43) TDP1MEN1KMT2AEPORCNR1
SCHEMBL7750689 0.85 MEN1 (0.42) TDP1MEN1KMT2AHTTNPSR1
Hydrochloric Acid SCHEMBL8120628 0.84 EPOR (0.41) TDP1MEN1KMT2AEPORCNR1
SCHEMBL8651940 0.84 EPOR (0.56) EPOR
SCHEMBL9196210 0.82 TACR1 (0.36) TDP1MEN1KMT2ANPSR1EPOR
Hydrochloric Acid SCHEMBL8525856 0.82 NPSR1 (0.41) TDP1MEN1KMT2AHTTNPSR1

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-0865426-A1 AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS Dr. Karl Thomae GmbH (DE) 1998-09-23 EP disclosed
WO-1997019914-A1 AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed