SCHEMBL9870097

SCHEMBL9870097

CC(OC(c1ccccc1)c1ccccc1)N1CCC(=CC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
OPRD1 P41143 2/20 0.34
SRD5A1 P18405 1/20 0.34
GAA P10253 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
SCHEMBL9819007 0.85 CTDSP1 (0.43) ALDH1A1LMNAKDM4EMAPTOPRD1
SCHEMBL9818778 0.80 CYP2D6 (0.42) CYP2D6KMT2AALDH1A1LMNAKDM4E
SCHEMBL6255523 0.75 MEN1 (0.56) CYP2D6KMT2AMEN1OPRD1
SCHEMBL9818808 0.75 CYP2D6 (0.53) CYP2D6KMT2AALDH1A1LMNAMEN1
SCHEMBL9870100 0.72 SLC6A4 (0.61)
SCHEMBL9818773 0.69 ALDH1A1 (0.61) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL27528272 0.68 KMT2A (0.44) KMT2AALDH1A1KDM4E
SCHEMBL9818776 0.68 OPRD1 (0.52) CYP2D6KMT2AALDH1A1LMNAKDM4E
SCHEMBL2558628 0.66 ALDH1A1 (0.47) CYP2D6KMT2AALDH1A1LMNAMAPT
SCHEMBL7260255 0.66 ALDH1A1 (0.51) CYP2D6KMT2AALDH1A1KDM4EMAPT

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-4983614-A ANTISPASMODIC, ANTIALLERGENIC AND ANTIHISTAMINE AGENTS LES LABORATOIRES MERAM (FR) 1991-01-08 US claimed