SCHEMBL19540907

SCHEMBL19540907

CCCc1cccc(CCC(=O)NC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ FFAR1 O14842 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ PCNA P12004 1/20 0.43

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
SCHEMBL16015432 0.90 MAPT (0.48) MTNR1AMTNR1BFFAR1HPGDGAA
SCHEMBL14233695 0.86 HPGD (0.54) MTNR1AMTNR1BHPGDGAAMAPT
SCHEMBL23866994 0.85 CYP4F2 (0.46) MTNR1AMTNR1BFFAR1HPGDGAA
SCHEMBL19182347 0.85 FFAR1 (0.49) MTNR1AMTNR1BFFAR1HPGDGAA
SCHEMBL20109375 0.85 FFAR1 (0.46) MTNR1AMTNR1BFFAR1GAAMAPT
SCHEMBL14724832 0.83 MEN1 (0.53) FFAR1GAAMAPTHDAC3ALDH1A1
SCHEMBL14234254 0.82 HPGD (0.43) MTNR1AMTNR1BHPGDGAAMAPT
SCHEMBL21103820 0.82 HDAC2 (0.45) MTNR1AMTNR1BFFAR1GAAMAPT
SCHEMBL19541311 0.82 FFAR1 (0.42) MTNR1AMTNR1BFFAR1HPGDGAA
SCHEMBL30559640 0.81 TAAR1 (0.57) FFAR1GAAMAPTALDH1A1HDAC2

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-2017190107-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 — — WO disclosed
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