SCHEMBL9775300

SCHEMBL9775300

O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
FKBP1A P62942 6/20 0.44
PREP P48147 5/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9774191 0.97 PREP (0.47) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774133 0.95 PREP (0.47) ACEMEN1KMT2AFKBP1APREP
SCHEMBL9775269 0.92 ACE (0.46) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10464194 0.87 CYP1A2 (0.44) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774174 0.87 ACE (0.52) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775268 0.86 FKBP1A (0.47) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775235 0.85 ALDH1A1 (0.50) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL3268475 0.84 FKBP1A (0.50) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774141 0.83 HRH1 (0.43) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10437333 0.83 PREP (0.42) 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-5068242-A PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US claimed