SCHEMBL10524712

SCHEMBL10524712

COc1ccc2[nH]c(C)c(C(C(=O)OC(=O)c3ccc(Cl)cc3)C(C)(C)CN3CCN(CCCO)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.42
▸ DRD2 P14416 3/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL10880872 0.88 TRPV1 (0.41) TRPV1DRD2KMT2ADRD3ALDH1A1
SCHEMBL10524343 0.84 TRPV1 (0.42) TRPV1DRD2KMT2AALDH1A1PTGS2
SCHEMBL10526177 0.82 ALDH1A1 (0.40) TRPV1DRD2KMT2AALDH1A1PTGS2
SCHEMBL10526688 0.81 TRPV1 (0.41) TRPV1DRD2KMT2AALDH1A1PTGS2
SCHEMBL10525350 0.81 TRPV1 (0.41) TRPV1DRD2KMT2AALDH1A1PTGS2
SCHEMBL8686345 0.81 TRPV1 (0.50) TRPV1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10526130 0.79 DRD4 (0.39) TRPV1DRD2KMT2AALDH1A1PTGS2
SCHEMBL10527805 0.77 ALDH1A1 (0.41) TRPV1KMT2AALDH1A1PTGS2KDM4E
SCHEMBL10526367 0.76 TRPV1 (0.40) TRPV1DRD2KMT2ADRD3KCNA5
SCHEMBL11832981 0.74 TRPV1 (0.51) TRPV1KMT2AALDH1A1PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188803-B1 PIPERAZINE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-06-07 — — EP disclosed
EP-0188803-A1 Piperazine derivative TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1986-07-30 — — EP disclosed
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