SCHEMBL9775243

SCHEMBL9775243

C1CCC(NC2CCCCC2)CC1.O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.51
ACE P12821 7/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
EPHX2 P34913 1/20 0.46
PREP P48147 2/20 0.44

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
SCHEMBL9774174 0.92 ACE (0.52) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9773813 0.88 ACE (0.55) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9774258 0.88 ACE (0.53) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9774278 0.83 ACE (0.54) ACEMEN1KMT2AUSP2LMNA
SCHEMBL10815275 0.80 ACE (0.55) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9775300 0.79 ACE (0.44) ACEMEN1KMT2AUSP2LMNA
SCHEMBL9774157 0.78 PREP (0.49) ACEMEN1KMT2APREP
SCHEMBL9775200 0.77 CYP1A2 (0.50) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL8796594 0.77 PREP (0.66) PREP
SCHEMBL9180223 0.77 PREP (0.66) PREP

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-5068242-A PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed