SCHEMBL9342255

SCHEMBL9342255

CCCCC(CC)C[n+]1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CHRM1 P11229 2/20 0.45
ACHE P22303 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
ABCB11 O95342 1/20 0.45
ESR1 P03372 1/20 0.45
PGR P06401 1/20 0.45
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45

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 SCHEMBL8431147 0.98 RAD52 (0.47) CHRM2ADRA2AADORA3CHRM1ACHE
Hydrochloric Acid SCHEMBL4244076 0.98 KMT2A (0.47) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL13061797 0.82 MEN1 (0.52) KMT2ASMN1; SMN2TSHRLMNAHTT
Iodide SCHEMBL5455905 0.81 HTT (0.53) KMT2ASMN1; SMN2TSHRLMNAHTT
SCHEMBL17358636 0.78 GGPS1 (0.43) RAD52KMT2ALMNAHTTMAPT
SCHEMBL13602108 0.76 MEN1 (0.41) KMT2ASMN1; SMN2TSHRLMNAHTT
SCHEMBL3447497 0.75 ALDH1A1 (0.48) KMT2ASMN1; SMN2LMNAHTTMEN1
Hydrochloric Acid SCHEMBL32681174 0.74 KMT2A (0.47) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL22189063 0.74 ALDH1A1 (0.38) KMT2ASMN1; SMN2TSHRLMNAHTT
SCHEMBL22189024 0.74 ALDH1A1 (0.38) TSHRALDH1A1TDP1CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101889065-A Adhesive composition, adhesive article, adhesive composition for optical use, and adhesion method DAI ICHI KOGYO SEIYAKU CO LTD 2010-11-17 CN disclosed
EP-0126951-B1 Phase transfer catalysts GEN ELECTRIC (US) 1994-07-20 EP disclosed
EP-0126951-A2 Phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1984-12-05 EP disclosed
US-4460778-A ALKYLDIORGANOAMINOPYRIDINIUM SALTS FOR MAKING AROMATIC ETHER IMIDES GENERAL ELECTRIC COMPANY (US) 1984-07-17 US disclosed