SCHEMBL2744951

SCHEMBL2744951

C[N+](C)(CC=Cc1ccccc1)CC=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.50
▸ IDO1 P14902 2/20 0.48
▸ PAM P19021 1/20 0.48
▸ MAOB P27338 1/20 0.46
▸ TRPA1 O75762 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL5168468 0.88 CHRM2 (0.51) HTR2AIDO1PAMMAOBTRPA1
SCHEMBL12970937 0.88 CHRM2 (0.51) HTR2AIDO1PAMMAOBTRPA1
Hydrochloric Acid SCHEMBL8070532 0.87 KDM4E (0.48) HTR2AIDO1PAMRAB9AALDH1A1
Hydrochloric Acid SCHEMBL4107880 0.86 CHRM2 (0.50) HTR2AIDO1PAMMAOBTRPA1
Water SCHEMBL7807739 0.86 CHRM2 (0.50) HTR2AIDO1PAMMAOBTRPA1
Water SCHEMBL8679126 0.86 CHRM2 (0.50) HTR2AIDO1PAMMAOBTRPA1
Hydrochloric Acid SCHEMBL8197750 0.86 CHRM2 (0.50) HTR2AIDO1PAMMAOBTRPA1
Water SCHEMBL8679943 0.85 PAM (0.42) HTR2AIDO1PAMMAOBRAB9A
Water SCHEMBL8679947 0.85 PAM (0.42) HTR2AIDO1PAMMAOBRAB9A
SCHEMBL27506988 0.85 HTR2A (0.46) HTR2AIDO1PAMMAOBTRPA1

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-8178009-B2 Slurry for secondary battery electrode, electrode for secondary battery, process for production of electrode for secondary battery, and secondary battery SUMITOMO BAKELITE CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20100075222-A1 SLURRY FOR SECONDARY BATTERY ELECTRODE, ELECTRODE FOR SECONDARY BATTERY, PROCESS FOR PRODUCTION OF ELECTRODE FOR SECONDARY BATTERY, AND SECONDARY BATTERY SUMITOMO BAKELITE CO., LTD. (JP) 2010-03-25 — — US disclosed
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