SCHEMBL9775457

SCHEMBL9775457

CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)N

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
DPP4 P27487 2/20 0.36
EPHX2 P34913 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL9775291 0.84 NAAA (0.38) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL14002948 0.83 ACE (0.53) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775205 0.82 ACE (0.44) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773200 0.80 ACE (0.66) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9773234 0.80 CHRM2 (0.36) ACEMEN1KMT2ACYP3A4EPHX2
SCHEMBL15825448 0.80 ACE (0.39) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775313 0.79 HCAR2 (0.44) ACEEPHX2CHRM2CHRM4CHRM5
SCHEMBL9775317 0.79 HCAR2 (0.44) ACEEPHX2CHRM2CHRM4CHRM5
SCHEMBL9775259 0.78 ACE (0.51) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775315 0.78 HCAR2 (0.37) ACEMEN1KMT2ACYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999370-A ANXIOLYTIC AGENTS, INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME, NOOTROPIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed