SCHEMBL8804496

SCHEMBL8804496

Cc1nc2ccccn2c(=O)c1CCN1CC2CC(c3cccc(Cl)c3)C2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 9/20 0.50
▸ ADRA2B P18089 9/20 0.50
▸ ADRA2C P18825 9/20 0.50
▸ ADRA1A P35348 9/20 0.47
▸ MAPT P10636 4/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ DRD2 P14416 1/20 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 0.90 HTR1A (0.50) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8804812 0.89 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8804273 0.88 ADRA1A (0.44) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8804882 0.87 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8804187 0.86 HTR1A (0.48) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8805236 0.85 ACHE (0.58) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8804471 0.85 HTR2A (0.45) ADRA2AADRA2BADRA2CADRA1AMAPT
Hydrochloric Acid SCHEMBL8804162 0.84 ACHE (0.57) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8804225 0.83 ADRA1A (0.48) ADRA2AADRA2BADRA2CADRA1AMAPT
SCHEMBL8185153 0.82 ADRA1A (0.49) ADRA2AADRA2BADRA2CADRA1AMAPT

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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