SCHEMBL9051832

SCHEMBL9051832

Cc1c(C)c(C)c(C(=O)N2CCCCC2)c(C)c1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 14/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ GAA P10253 1/20 0.55
▸ TSHR P16473 3/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ LMNA P02545 3/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL14703260 0.81 HPGD (0.57) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL21163104 0.75 HPGD (0.62) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL16466885 0.73 HPGD (0.55) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL20594175 0.73 L3MBTL1 (0.61) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL31536222 0.72 HPGD (0.59) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL4159647 0.72 LMNA (0.61) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL24016897 0.70 HPGD (0.56) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL18856526 0.70 KDM4E (0.59) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL14703236 0.70 HPGD (0.50) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL22059676 0.69 HPGD (0.51) HPGDALDH1A1KMT2AMEN1NPSR1

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
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 — — WO disclosed
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