SCHEMBL9820844

SCHEMBL9820844

C=C(C)C(=O)NCCC[N+](CC)(CC)CC.CS(=O)(=O)[O-]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.31
ADRA2C known ✓ P18825 1/20 0.31
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A4 known ✓ P31645 1/20 0.31
TGFBR1 P36897 1/20 0.33
CHRM2 P08172 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM3 P20309 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL1563365 0.91 CHRM2 (0.36) TGFBR1CHRM2CYP2D6CHRM1ADRA2C
SCHEMBL6117441 0.90 TGFBR1 (0.30) TGFBR1
Hydrochloric Acid SCHEMBL475592 0.89 CHRM2 (0.35) TGFBR1CHRM2CYP2D6CHRM1ADRA2C
SCHEMBL19971333 0.87 BBOX1 (0.41) TGFBR1
Hydrochloric Acid SCHEMBL6117337 0.84 DNM1 (0.36) TGFBR1CHRM2CYP2D6CHRM1ADRA2C
Bromide SCHEMBL23607564 0.83 DNM1 (0.42)
Water SCHEMBL9938163 0.81 EPHX2 (0.36) TGFBR1
Water SCHEMBL18815183 0.81 EPHX2 (0.33) TGFBR1
SCHEMBL19220240 0.81 EPHX2 (0.39) TGFBR1
SCHEMBL19971298 0.80 EPHX2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225192-B1 PHOTOSENSITIVE RESIN COMPOSITION AND METHOD OF MANUFACTURING COLOR FILTER USING THE SAME KABUSHIKI KAISHA TOSHIBA (JP) 1991-10-09 EP claimed
US-4820619-A COPOLYMER OF GLYCIDYL (METH-) ACRYLATE OR VINYL ETHER) WITH (METH-) ACRYLIC AMIDE OR ESTER HAVING QUATERNARY AMMONIUM SALT KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-11 US claimed
EP-0225192-B1 PHOTOSENSITIVE RESIN COMPOSITION AND METHOD OF MANUFACTURING COLOR FILTER USING THE SAME KABUSHIKI KAISHA TOSHIBA (JP) 1991-10-09 EP disclosed
US-4820619-A COPOLYMER OF GLYCIDYL (METH-) ACRYLATE OR VINYL ETHER) WITH (METH-) ACRYLIC AMIDE OR ESTER HAVING QUATERNARY AMMONIUM SALT KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-11 US disclosed
EP-0225192-A2 Photosensitive resin composition and method of manufacturing color filter using the same KABUSHIKI KAISHA TOSHIBA (JP) 1987-06-10 EP disclosed