SCHEMBL9325771

SCHEMBL9325771

CCCC(Cc1ccsc1)N(CC)CCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.50
▸ MAPT P10636 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ KCNJ1 P48048 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL9327633 0.86 KCNH2 (0.50) KCNH2MAPTKCNJ1TSHRSIGMAR1
SCHEMBL9326153 0.84 DRD2 (0.37) KCNH2MAPTDRD2DRD3SIGMAR1
SCHEMBL9327453 0.83 KCNH2 (0.55) KCNH2MAPTDRD2DRD3KCNJ1
SCHEMBL9324295 0.83 KCNH2 (0.49) KCNH2MAPTKMT2A
SCHEMBL9325797 0.80 KDM4E (0.40) KCNH2DRD2DRD3
SCHEMBL9325778 0.77 KCNH2 (0.67) KCNH2DRD2DRD3
SCHEMBL11231897 0.75 KCNH2 (0.52) KCNH2MAPTKCNJ1TSHRPTGES
SCHEMBL11231455 0.72 KCNH2 (0.63) KCNH2MAPTKCNJ1TSHRPTGES
SCHEMBL9326502 0.72 SIGMAR1 (0.48) KCNH2SIGMAR1KMT2A
SCHEMBL10531208 0.71 KCNH2 (0.65) KCNH2MAPTKCNJ1TSHRPTGES

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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