SCHEMBL8013063

SCHEMBL8013063

CC(=O)N1CCc2cc[c]cc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.63
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PTAFR P25105 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ACE P12821 2/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL3486703 0.94 NOTUM (0.63) NOTUMKMT2AMAPTTAAR1HRH3
SCHEMBL23360751 0.83 NOTUM (0.43) NOTUMKMT2AMAPTTAAR1MEN1
SCHEMBL17005756 0.83 MEN1 (0.44) NOTUMKMT2ATAAR1MEN1ALDH1A1
SCHEMBL3996959 0.80 DPP8 (0.44) NOTUMKMT2AMAPTTAAR1MEN1
SCHEMBL952264 0.80 ESR1 (0.59) NOTUMKMT2AMAPTTAAR1MEN1
SCHEMBL2075762 0.79 NOTUM (0.44) NOTUMKMT2AMAPTTAAR1MEN1
SCHEMBL3210469 0.78 NOTUM (1.00) NOTUMKMT2AMAPTTAAR1HRH3
SCHEMBL30539318 0.78 NOTUM (1.00) NOTUMKMT2AMAPTTAAR1HRH3
SCHEMBL18351760 0.77 HPGD (0.51) KMT2AMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL18351817 0.76 HPGD (0.52) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19

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
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 — — US claimed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 — — US disclosed
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