SCHEMBL9769482

SCHEMBL9769482

CN(CCc1ccc([N+](=O)[O-])cc1)C1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
KCNH2 Q12809 2/20 0.48
PNMT P11086 6/20 0.46
ADRA2A P08913 5/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
CDC25C P30307 3/20 0.46

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
Hydrochloric Acid SCHEMBL9769478 0.88 HTR2A (0.50) SIGMAR1KCNH2CDC25C
SCHEMBL9716410 0.87 PNMT (0.48) KCNH2PNMTADRA2AADRA2BADRA2C
SCHEMBL14878929 0.82 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL9769475 0.81 KCNH2 (0.54) KCNH2PNMTADRA2AADRA2BADRA2C
SCHEMBL30561524 0.80 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL1640125 0.80 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8176570 0.79 GRIN2B (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL3085819 0.76 SIGMAR1 (0.48) SIGMAR1KCNH2CDC25C
SCHEMBL9628028 0.75 KCNH2 (0.74) SIGMAR1KCNH2CDC25C
SCHEMBL12004879 0.75 PNMT (0.56) PNMTADRA2AADRA2BADRA2C

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-5006561-A Indane sulfonamide anti-arrhythmic agents and use PFIZER INC. (US) 1991-04-09 US disclosed
EP-0286278-A1 Indanamine derivatives useful as antiarrhythmic agents Pfizer Limited (GB) 1988-10-12 EP disclosed