SCHEMBL9827447

SCHEMBL9827447

CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ MAPT P10636 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ USP2 O75604 1/20 0.60
▸ TAAR1 Q96RJ0 1/20 0.60
▸ TMEM97 Q5BJF2 2/20 0.58
▸ SIGMAR1 Q99720 2/20 0.58
▸ KCNH2 Q12809 4/20 0.56
▸ SLC22A2 O15244 1/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ BLM P54132 2/20 0.52
▸ PMP22 Q01453 1/20 0.52

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
SCHEMBL9149818 0.93 TMEM97 (0.59) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL7037787 0.90 LMNA (0.62) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL3570124 0.90 LMNA (0.65) RAB9ASMN1; SMN2NPC1MAPTLMNA
Hydrochloric Acid SCHEMBL9053101 0.89 LMNA (0.66) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL17448248 0.86 RAB9A (0.68) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL9826975 0.85 SIGMAR1 (0.70) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL14066867 0.83 HDAC1 (0.63) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL4337942 0.83 MAPT (0.55) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL7915502 0.83 TMEM97 (0.60) RAB9ASMN1; SMN2NPC1MAPTLMNA
SCHEMBL9628232 0.83 KCNH2 (0.76) SIGMAR1KCNH2TSHRATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285284-B1 N-PHENETHYLAMINOALKYL-BENZAMIDE ANTI-ARRHYTHMIA AGENTS Pfizer Limited (GB) 1991-05-15 — — EP disclosed
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