SCHEMBL7474472

SCHEMBL7474472

Cc1cccc(Cc2ccccc2)c1NC(=O)CCCN1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
DRD2 P14416 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
MCHR1 Q99705 1/20 0.44
DRD4 P21917 2/20 0.43
MMP3 P08254 1/20 0.43
UBE2N P61088 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN4A P35499 2/20 0.42

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
SCHEMBL7470932 0.92 HRH3 (0.49) S1PR1DRD2HRH3MCHR1DRD4
SCHEMBL7464080 0.89 DRD4 (0.55) DRD2DRD4MMP3
SCHEMBL7462774 0.87 S1PR1 (0.49) S1PR1DRD2HRH3MMP3
SCHEMBL7465032 0.84 S1PR1 (0.48) S1PR1HRH3MMP3
SCHEMBL7477194 0.80 DRD4 (0.59) DRD2DRD4MMP3
SCHEMBL7476550 0.75 DRD2 (0.55) DRD2
SCHEMBL7471366 0.73 CACNA1G (0.53) DRD2
SCHEMBL12041705 0.72 HRH3 (0.55) S1PR1DRD2HRH3MMP3
SCHEMBL12041706 0.72 S1PR1 (0.69) S1PR1DRD2HRH3MMP3
SCHEMBL6161610 0.72 SIGMAR1 (0.76) S1PR1HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757986-B1 Arylpiperidine and arylpiperazine derivatives and drugs containing the same SUNTORY LTD (JP) 2002-06-12 EP disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 EP disclosed