SCHEMBL9210463

SCHEMBL9210463

[CH2]Cc1ccccc1SCCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.45
▸ HTR7 P34969 3/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ DDR1 Q08345 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ SOAT1 P35610 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32

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
SCHEMBL3027067 0.83 HPGD (0.36) DDR1ALDH1A1APOBEC3G
SCHEMBL16844673 0.83 PTGS2 (0.51) PTGS2HTR7CHRM4DDR1PDE5A
SCHEMBL30548746 0.80 PTGS2 (0.55) PTGS2HTR7PDE5ASOAT1ALDH1A1
SCHEMBL10350653 0.80 PTGS2 (0.55) PTGS2HTR7PDE5ASOAT1ALDH1A1
SCHEMBL26942237 0.80 APOBEC3G (0.57) PTGS2HTR7CHRM4DDR1PDE5A
SCHEMBL24779796 0.77 PTGS2 (0.42) PTGS2HTR7CHRM4DDR1PDE5A
SCHEMBL2959162 0.75 PTGS2 (0.47) PTGS2HTR7CHRM4DDR1PDE5A
SCHEMBL7464903 0.74 PTGS2 (0.46) PTGS2SOAT1ALDH1A1TLR8
SCHEMBL4801748 0.74 CHRM2 (0.48) HTR7CHRM4ALDH1A1APOBEC3G
SCHEMBL19260908 0.73 POLB (0.59) ALDH1A1

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
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 — — EP disclosed
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