SCHEMBL9130405

SCHEMBL9130405

O=C1c2ccccc2S(O)(O)N1CCN1CCC(Oc2ccc3ccccc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.38
▸ HTR7 P34969 4/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ PRMT5 O14744 5/20 0.37
▸ WDR77 Q9BQA1 5/20 0.37
▸ USP2 O75604 1/20 0.37
▸ USP1 O94782 1/20 0.37
▸ USP8 P40818 1/20 0.37
▸ OTUB1 Q96FW1 1/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ UBE2N P61088 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9134839 0.94 ADRA1D (0.42) HTR2AHTR7CHRM2CHRM3
SCHEMBL9131313 0.94 HTR1A (0.42) HTR2AHTR7CHRM2CHRM3
SCHEMBL9132145 0.93 HTR1A (0.42) HTR2AHTR7CHRM2CHRM3
SCHEMBL9130400 0.90 HPGD (0.45) —
SCHEMBL9131963 0.87 HTR1A (0.45) HTR2AHTR7CHRM2CHRM3MAPT
SCHEMBL9130484 0.86 HTR1A (0.46) HTR2AHTR7SMN1; SMN2
SCHEMBL9132000 0.84 DRD2 (0.41) HTR2AHTR7
SCHEMBL9131309 0.84 HTR1A (0.51) HTR2AHTR7
SCHEMBL9134836 0.84 DRD2 (0.52) HTR2AHTR7
SCHEMBL9132141 0.83 DRD2 (0.53) HTR2AHTR7

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 3 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
US-5037841-A For treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1991-08-06 — — US disclosed
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