SCHEMBL9134162

SCHEMBL9134162

OS1(O)c2cccc3cccc(c23)N1CCCN1CCC(Oc2cccc3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.42
▸ DRD2 P14416 3/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ DRD4 P21917 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL9131038 0.98 HTR7 (0.44) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131062 0.94 DRD2 (0.41) HTR7DRD2DRD4
SCHEMBL9132049 0.90 HTR7 (0.50) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9134164 0.89 HTR7 (0.55) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9132091 0.88 HTR7 (0.52) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131045 0.87 HTR7 (0.58) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9132087 0.84 HTR1A (0.46) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131075 0.84 HTR7 (0.45) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9131067 0.83 HTR7 (0.50) HTR7DRD2HTR1AHTR2AHTR6
SCHEMBL9130018 0.82 DRD2 (0.46) HTR7DRD2HTR1AHTR2AHTR6

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-5453437-A 1,3-disubstituted pyrrolidines BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 — — US disclosed
US-5274097-A A 1-N-heterocyclic alkylene-3-carbo or heterocyclic ring oxypyrrolidine derivative BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 — — US disclosed
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