SCHEMBL7775007

SCHEMBL7775007

C[N+](C)(C)Cc1ccc2ccccc2c1-c1c(C[N+](C)(C)C)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 3/20 0.42
CYP2A6 P11509 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HPRT1 P00492 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
Bromide SCHEMBL7775033 0.98 MAPT (0.41) MAPTALDH1A1TDP1TSHRCYP2A6
SCHEMBL8560261 0.83 MAPT (0.39) MAPTALDH1A1TDP1TSHRCYP2A6
SCHEMBL8553919 0.81 MAPT (0.40) MAPTALDH1A1TDP1TSHRCYP2A6
SCHEMBL7919050 0.79 CYP2D6 (0.59) MAPTALDH1A1TDP1TSHRCYP2A6
SCHEMBL8559212 0.79 DNM1 (0.46) MAPTALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL8555160 0.78 MAPT (0.38) MAPTALDH1A1TDP1TSHRCYP2A6
Iodide SCHEMBL30254970 0.78 CYP1A2 (0.57) MAPTALDH1A1TDP1TSHRHSD17B10
Hydrochloric Acid SCHEMBL10800502 0.78 CYP1A2 (0.57) MAPTALDH1A1TDP1TSHRHSD17B10
SCHEMBL8558223 0.77 ALDH1A1 (0.37) MAPTALDH1A1TDP1TSHRCYP2A6
SCHEMBL8553694 0.76 ALDH1A1 (0.36) MAPTALDH1A1HSD17B10CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684248-B1 Process for the preparation of tertiary diarylalkylphosphines CELANESE CHEM EUROPE GMBH (DE) 2001-08-29 EP claimed
EP-0685456-B1 Bisquaternary ammonium derivatives of 2,2'-dimethyl-1,1'binaphtyl and process for their preparation HOECHST AG (DE) 1998-04-15 EP claimed
US-5599989-A Bisquaternary ammonium compounds of 2,2'-dimethyl-1,1'-binaphythyl and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-04 US claimed
US-5527967-A Process for preparing tertiary diarylalkylphosphines HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-18 US claimed
EP-0684248-A1 Process for the preparation of tertiary diarylalkylphosphines HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP claimed
JP-8059574-A None JP disclosed
US-5599989-A Bisquaternary ammonium compounds of 2,2'-dimethyl-1,1'-binaphythyl and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed
US-5527967-A Process for preparing tertiary diarylalkylphosphines HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-18 US disclosed
JP-H0859574-A BISQUATERNARY AMMONIUM COMPOUND OF 2,2'-DIMETHYL-1,1'-BINAPHTHYL AND ITS PREPARATION HOECHST AG 1996-03-05 JP disclosed
US-5489599-A FUNGICIDES SHELL RESEARCH LIMITED (GB) 1996-02-06 US disclosed
WO-1992012130-A1 PIPERIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-07-23 WO disclosed
EP-0494717-A1 Piperidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-07-15 EP disclosed