SCHEMBL8804187

SCHEMBL8804187

Cc1nc2ccccn2c(=O)c1CCN1CC2CC(c3ccncc3)C2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ ADRA1A P35348 12/20 0.47
▸ ADRA2A P08913 12/20 0.47
▸ ADRA2B P18089 12/20 0.47
▸ ADRA2C P18825 12/20 0.47
▸ HTR2A P28223 2/20 0.46

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
SCHEMBL8803688 0.93 HTR1A (0.50) HTR1AHTR2CKDM4EMEN1HPGD
SCHEMBL8805236 0.90 ACHE (0.58) HTR1AHTR2CKDM4EMEN1HPGD
Hydrochloric Acid SCHEMBL8804162 0.89 ACHE (0.57) HTR1AHTR2CKDM4EMEN1HPGD
SCHEMBL8804273 0.86 ADRA1A (0.44) HTR1AHTR2CKDM4EMEN1HPGD
SCHEMBL8804496 0.86 ADRA2A (0.50) HTR1AHTR2CKDM4EMEN1HPGD
SCHEMBL8185153 0.84 ADRA1A (0.49) HTR1AHTR2CKDM4EMEN1HPGD
SCHEMBL9141084 0.83 ADRA1A (0.51) HTR1AHTR2CKDM4EMEN1HPGD
SCHEMBL8805082 0.83 PKM (0.48) HTR1AHTR2CKDM4EMEN1KMT2A
SCHEMBL8804225 0.82 ADRA1A (0.48) HTR1AHTR2CKDM4EMEN1HPGD
SCHEMBL8802345 0.78 HTR2A (0.47) HTR1AHTR2CKDM4EMEN1HPGD

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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