SCHEMBL9774141

SCHEMBL9774141

O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)CCCOc1ccccc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.43
DRD1 P21728 3/20 0.42
DRD4 P21917 3/20 0.42
DRD5 P21918 3/20 0.42
DRD3 P35462 3/20 0.42
DRD2 P14416 2/20 0.42
ACE P12821 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
FKBP1A P62942 2/20 0.39
PREP P48147 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9774220 0.89 ACE (0.47) HRH1DRD1DRD4DRD5DRD3
SCHEMBL10511673 0.85 HRH1 (0.42) HRH1DRD1DRD4DRD5DRD3
SCHEMBL9774191 0.84 PREP (0.47) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9775300 0.83 ACE (0.44) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL9774133 0.82 PREP (0.47) ACEMEN1KMT2AFKBP1APREP
SCHEMBL9775269 0.82 ACE (0.46) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10514531 0.82 HRH1 (0.45) HRH1DRD1DRD4DRD5DRD3
SCHEMBL10515667 0.81 HRH1 (0.42) HRH1DRD1DRD4DRD5DRD3
SCHEMBL10513313 0.81 HRH1 (0.44) HRH1DRD1DRD4DRD5DRD3
SCHEMBL9775235 0.80 ALDH1A1 (0.50) 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-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed