SCHEMBL9200988

SCHEMBL9200988

N=C(N)NCCC[C@@H](N)C(=O)N(Cc1ccncc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ F10 P00742 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
SCHEMBL1389117 0.93 CNR1 (0.41) MEN1KMT2ACNR1F10NPY1R
SCHEMBL1388355 0.89 TDP1 (0.37) MEN1KMT2ACNR1NPY1RTDP1
SCHEMBL9200886 0.88 TPSAB1 (0.39) MEN1KMT2ACNR1NPY1RTDP1
SCHEMBL4650866 0.86 NPY1R (0.42) CNR1NPY1R
SCHEMBL6901610 0.85 CNR1 (0.43) LMNAMEN1MAPTKMT2ACNR1
SCHEMBL9203837 0.85 F2 (0.38) MEN1KMT2AF10NPY1RTDP1
SCHEMBL9202531 0.84 MEN1 (0.38) MEN1KMT2ACNR1F10NPY1R
SCHEMBL9271799 0.83 CNR1 (0.35) CNR1F10NPY1R
SCHEMBL9268219 0.83 ADAM17 (0.41) MAPTGAASMN1; SMN2
SCHEMBL9276101 0.83 CNR1 (0.39) EPHX2CNR1NPY1R

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
Send feedback