SCHEMBL7444058

SCHEMBL7444058

CCc1ccc2c(c1)OC(C(O)CNC1CCN(CC(=O)Nc3ccccc3)CC1)CO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
REV1 Q9UBZ9 1/20 0.43
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL7443888 0.89 POLB (0.48) ALDH1A1HTTRECQLNPSR1SMN1; SMN2
SCHEMBL10994604 0.87 REV1 (0.48) ALDH1A1DRD4DRD2DRD3REV1
SCHEMBL7436573 0.87 HTT (0.47) ALDH1A1DRD4DRD2DRD3HTT
SCHEMBL7447128 0.85 RAB9A (0.52) ALDH1A1HTTNPSR1SMN1; SMN2POLB
SCHEMBL7440389 0.85 MEN1 (0.47) ALDH1A1REV1SMN1; SMN2POLBCYP3A4
SCHEMBL7428126 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7439756 0.84 POLB (0.45) ALDH1A1NPSR1SMN1; SMN2POLBCYP3A4
SCHEMBL7433767 0.83 DRD4 (0.53) ALDH1A1DRD4DRD2DRD3
SCHEMBL7439415 0.83 POLB (0.49) ALDH1A1HTTRECQLNPSR1SMN1; SMN2
SCHEMBL7441217 0.82 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2POLBL3MBTL1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed