SCHEMBL9325455

SCHEMBL9325455

CCCCCN(CCCCc1ccc(N)cc1)C(C)Cc1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL9324433 0.92 SIGMAR1 (0.39) HTR2ADRD2DRD3SIGMAR1MAPT
SCHEMBL9327453 0.83 KCNH2 (0.55) DRD2DRD3SIGMAR1THRATHRB
SCHEMBL9326153 0.81 DRD2 (0.37) HTR2ADRD2DRD3SIGMAR1MAPT
SCHEMBL10529039 0.76 MAPT (0.46) HTR2ATHRATHRBMAPTKCNH2
SCHEMBL9326394 0.75 LTA4H (0.41) HTR2ADRD2DRD3MAPTKCNH2
SCHEMBL9327633 0.75 KCNH2 (0.50) SIGMAR1MAPTKCNH2ALDH1A1
SCHEMBL9327577 0.74 DRD3 (0.54) DRD2DRD3MAPTKCNH2MAOB
SCHEMBL10529828 0.72 HTR2A (0.45) HTR2ATHRATHRBMAPTKCNH2
SCHEMBL9325409 0.71 TDP1 (0.40) HTR2ADRD2DRD3MAPTKCNH2
SCHEMBL9326409 0.71 SIGMAR1 (0.39) DRD2DRD3SIGMAR1MAPTRAB9A

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-5310941-A Antiarrythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-10 — — US disclosed
US-5208252-A Antiarrhythmia ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-04 — — US disclosed
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