SCHEMBL27497441

SCHEMBL27497441

c1ccc(-c2cccc(N3CCCC3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.70
▸ HTR7 P34969 2/20 0.70
▸ HSD17B10 Q99714 11/20 0.58
▸ USP2 O75604 11/20 0.58
▸ ALDH1A1 P00352 8/20 0.58
▸ CYP1A2 P05177 7/20 0.58
▸ MAPK1 P28482 7/20 0.58
▸ CYP3A4 P08684 7/20 0.58
▸ CYP2D6 P10635 6/20 0.58
▸ TP53 P04637 4/20 0.58
▸ TSHR P16473 2/20 0.58
▸ CYP2C9 P11712 4/20 0.56
▸ CYP2C19 P33261 4/20 0.56
▸ HPGD P15428 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HIF1A Q16665 3/20 0.51

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
SCHEMBL15538190 0.91 HTR7 (0.75) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL17857889 0.86 HTR1A (0.53) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL17029433 0.83 HTR7 (0.51) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL11737413 0.83 HTR7 (0.51) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL28279447 0.83 MEN1 (0.53) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL23071563 0.83 HTR1A (0.63) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL11210288 0.82 LMNA (0.68) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL30022113 0.82 HTR7 (1.00) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL1914606 0.82 HTR7 (1.00) HTR1AHTR7HSD17B10USP2ALDH1A1
SCHEMBL30108214 0.82 HTR1A (0.64) HTR1AHTR7HSD17B10USP2ALDH1A1

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
CN-1191349-C Carrying system PROCTER & GAMBLE (US) 2005-03-02 — — CN disclosed
CN-1202196-A Carrying system PROCTER & GAMBLE (US) 1998-12-16 — — CN disclosed
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