SCHEMBL9774191

SCHEMBL9774191

O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.47
ACE P12821 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
FKBP1A P62942 4/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9774133 0.98 PREP (0.47) PREPACEMEN1KMT2AFKBP1A
SCHEMBL9775300 0.97 ACE (0.44) PREPACEMEN1KMT2ACYP3A4
SCHEMBL9775269 0.93 ACE (0.46) PREPACEMEN1KMT2ACYP3A4
SCHEMBL10464194 0.90 CYP1A2 (0.44) PREPACEMEN1KMT2ACYP3A4
SCHEMBL9775235 0.86 ALDH1A1 (0.50) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774258 0.86 ACE (0.53) PREPACEMEN1KMT2ACYP3A4
SCHEMBL3268475 0.85 FKBP1A (0.50) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774141 0.84 HRH1 (0.43) PREPACEMEN1KMT2ACYP3A4
SCHEMBL9773813 0.84 ACE (0.55) PREPACEMEN1KMT2ACYP3A4
SCHEMBL9877388 0.84 FKBP1A (0.49) PREPACEMEN1KMT2ACYP3A4

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-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed