SCHEMBL9325440

SCHEMBL9325440

CCN(CCN)C(C)Cc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.43
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ OPRM1 P35372 14/20 0.34
▸ OPRK1 P41145 11/20 0.34
▸ OPRD1 P41143 11/20 0.34
▸ MME P08473 2/20 0.34
▸ OPRL1 P41146 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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 0.79 SIGMAR1 (0.39) TAAR1DRD2DRD3OPRM1OPRK1
SCHEMBL9325409 0.78 TDP1 (0.40) DRD2DRD3OPRK1
SCHEMBL9326394 0.77 LTA4H (0.41) DRD2DRD3OPRK1
SCHEMBL9325760 0.74 CA12 (0.46) —
SCHEMBL9327603 0.74 LMNA (0.53) OPRM1OPRK1OPRD1
SCHEMBL9327633 0.72 KCNH2 (0.50) —
SCHEMBL9326379 0.71 KCNH2 (0.50) PTGS2
SCHEMBL9324382 0.70 KDM4E (0.39) DRD3
SCHEMBL9325455 0.70 HTR2A (0.39) TAAR1DRD2DRD3
SCHEMBL4135682 0.69 — —

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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