SCHEMBL8806540

SCHEMBL8806540

Cc1nc2sccn2c(=O)c1CCN1CC2CC(c3cccc(O)c3)C2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ HTR1A P08908 4/20 0.47
▸ HTR2A P28223 4/20 0.47
▸ PKM P14618 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ DRD2 P14416 3/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ DGKA P23743 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL8804471 0.90 HTR2A (0.45) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8804387 0.90 PKM (0.51) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8805781 0.90 MAPT (0.49) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8805519 0.90 TDP1 (0.52) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8803854 0.89 PKM (0.47) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8804049 0.89 PKM (0.46) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8190364 0.87 TDP1 (0.47) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8805291 0.86 PKM (0.46) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8805551 0.86 PKM (0.46) MAPTHTR1AHTR2APKMTDP1
SCHEMBL8805082 0.85 PKM (0.48) MAPTHTR1AHTR2APKMTDP1

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
EP-0647231-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1997-08-27 — — EP disclosed
US-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 — — US disclosed
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