SCHEMBL9326153

SCHEMBL9326153

CCCC(Cc1ccsc1)N(CC)CCCCc1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ MAOB P27338 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KCNH2 Q12809 4/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ OPRM1 P35372 5/20 0.31
▸ OPRD1 P41143 5/20 0.31
▸ OPRK1 P41145 5/20 0.31

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 0.85 SIGMAR1 (0.39) DRD2DRD3MAOBTAAR1SIGMAR1
SCHEMBL9325771 0.84 KCNH2 (0.50) DRD2DRD3SIGMAR1MAPTKCNH2
SCHEMBL9325797 0.82 KDM4E (0.40) DRD2DRD3KCNH2HTR2AOPRM1
SCHEMBL9325455 0.81 HTR2A (0.39) DRD2DRD3MAOBTAAR1SIGMAR1
SCHEMBL9324412 0.81 TRPM8 (0.35) DRD2DRD3MAOBTAAR1SIGMAR1
SCHEMBL9327577 0.74 DRD3 (0.54) DRD2DRD3MAOBTAAR1MAPT
SCHEMBL9326394 0.69 LTA4H (0.41) DRD2DRD3MAPTKCNH2HTR2A
SCHEMBL9327633 0.69 KCNH2 (0.50) SIGMAR1MAPTKCNH2
SCHEMBL10529828 0.68 HTR2A (0.45) MAPTKCNH2HTR2A
SCHEMBL9326409 0.68 SIGMAR1 (0.39) DRD2DRD3MAOBTAAR1SIGMAR1

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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