SCHEMBL13889089

SCHEMBL13889089

COc1cc(C(=O)N2CCC(N3CCC[C@H](CO)C3)CC2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP2C9 P11712 3/20 0.52
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HTR4 Q13639 1/20 0.45
▸ MBTD1 Q05BQ5 1/20 0.45
▸ TP53BP1 Q12888 1/20 0.45
▸ L3MBTL3 Q96JM7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL13407873 0.78 CCR3 (0.65) —
SCHEMBL13389790 0.78 CCR3 (0.65) —
SCHEMBL29816208 0.78 TDP1 (0.68) POLBKMT2AMEN1MAPK1CYP2C9
SCHEMBL31238166 0.73 ALDH1A1 (0.70) POLBKMT2AMEN1MAPK1CYP2C9
SCHEMBL1809205 0.72 POLB (0.51) POLBKMT2AMEN1MAPK1CYP2C9
SCHEMBL1811001 0.72 POLB (0.53) POLBKMT2AMEN1MAPK1HTR3E
SCHEMBL29699346 0.71 ALDH1A1 (0.60) POLBKMT2AMEN1MAPK1TDP1
SCHEMBL6184046 0.71 ACACB (0.66) POLBMAPK1CYP2C9RAB9ATDP1
SCHEMBL24183460 0.69 SMN1; SMN2 (0.57) KMT2AMEN1CYP2C9RAB9ANPSR1
SCHEMBL29787263 0.69 SMN1; SMN2 (0.57) KMT2AMEN1CYP2C9RAB9ANPSR1

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-1725235-B1 PIPERIDINE DERIVATIVES USEFUL AS CCR3 ANTAGONISTS SCHERING CORP (US) 2009-04-15 — — EP disclosed
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