SCHEMBL9327577

SCHEMBL9327577

CCN(CCCCc1ccc(N)cc1)CCc1ccsc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.54
▸ DRD2 P14416 2/20 0.54
▸ KCNH2 Q12809 6/20 0.46
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ MAOB P27338 2/20 0.39
▸ FDPS P14324 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL9325778 0.81 KCNH2 (0.67) DRD3DRD2KCNH2
SCHEMBL5632446 0.81 KCNH2 (0.56) DRD3KCNH2CHRM2HTR1AADRA2A
SCHEMBL22403770 0.79 KCNH2 (0.66) DRD3KCNH2CHRM2HTR1AADRA2A
SCHEMBL9630022 0.79 GFER (0.54) DRD3KCNH2CHRM2HTR1AADRA2A
SCHEMBL9624160 0.78 KCNH2 (0.62) DRD3DRD2KCNH2CHRM2HTR1A
SCHEMBL10530872 0.78 KCNH2 (0.71) DRD3KCNH2CHRM2HTR1AADRA2A
SCHEMBL9324433 0.77 SIGMAR1 (0.39) DRD3DRD2KCNH2HTR1AADRA2A
SCHEMBL12156482 0.76 KCNH2 (0.60) DRD3KCNH2CHRM2HTR1AADRA2A
SCHEMBL3161700 0.75 GFER (0.54) DRD3KCNH2CHRM2HTR1AADRA2A
SCHEMBL9326153 0.74 DRD2 (0.37) DRD3DRD2KCNH2OPRM1TAAR1

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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