SCHEMBL8804471

SCHEMBL8804471

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ PKM P14618 3/20 0.45
▸ HTR1A P08908 3/20 0.45
▸ DRD2 P14416 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ DGKA P23743 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ ADRA1A P35348 2/20 0.45
▸ HRH1 P35367 2/20 0.45
▸ ADRA2A P08913 2/20 0.45

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
SCHEMBL8804387 0.90 PKM (0.51) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8806540 0.90 MAPT (0.47) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8804592 0.90 PKM (0.47) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8805519 0.90 TDP1 (0.52) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8069030 0.90 HTR1A (0.49) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8805551 0.89 PKM (0.46) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8804049 0.89 PKM (0.46) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8190364 0.87 TDP1 (0.47) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8805291 0.86 PKM (0.46) HTR2AMAPTTP53TDP1SMN1; SMN2
SCHEMBL8803854 0.86 PKM (0.47) HTR2AMAPTTP53TDP1SMN1; SMN2

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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