SCHEMBL5656938

SCHEMBL5656938

COc1ccccc1N(CCCN1CCN(Cc2ccccc2)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SLC29A1 Q99808 1/20 0.50
SIGMAR1 Q99720 4/20 0.49
OPRM1 P35372 1/20 0.49
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5657861 0.86 OPRM1 (0.55) HTR7ALDH1A1SIGMAR1OPRM1KDM4E
SCHEMBL5655837 0.85 DRD2 (0.63) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL5654725 0.85 DRD2 (0.55) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL5655983 0.84 MAPT (0.53) HTR7SIGMAR1OPRM1
SCHEMBL5659495 0.84 OPRM1 (0.50) ALDH1A1OPRM1KDM4ETDP1MEN1
SCHEMBL5655926 0.83 DRD2 (0.55) HTR7ALDH1A1KDM4ETDP1MEN1
SCHEMBL5658364 0.83 HTR2A (0.58) HTR7ALDH1A1SIGMAR1OPRM1KDM4E
SCHEMBL5657065 0.83 ALDH1A1 (0.51) HTR7ALDH1A1SIGMAR1OPRM1
SCHEMBL5656281 0.83 OPRM1 (0.52) OPRM1
SCHEMBL5657619 0.83 HTR7 (0.51) HTR7OPRM1MEN1KMT2A

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-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed