SCHEMBL7915484

SCHEMBL7915484

CC(C1CCCNC1)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.38
MAOA P21397 1/20 0.37
PTGS1 P23219 4/20 0.36
PTGS2 P35354 2/20 0.36
HTR2A P28223 3/20 0.36
KDM1A O60341 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
ADRA2B P18089 2/20 0.36
CHRM3 P20309 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
ADRA1D P25100 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36

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
SCHEMBL27556569 0.78 BCHE (0.40) BCHEMAOAPTGS1PTGS2HTR2A
SCHEMBL6672304 0.75 KDM1A (0.38) BCHEMAOAPTGS1PTGS2HTR2A
Hydrochloric Acid SCHEMBL27657147 0.74 HTR2B (0.40) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL23689957 0.73 HTR2B (0.44) BCHEMAOAPTGS1HTR2AKDM1A
SCHEMBL3696465 0.68 BCHE (0.54) BCHEMAOAPTGS1PTGS2HTR2A
SCHEMBL29833662 0.68 BCHE (0.54) BCHEMAOAPTGS1PTGS2HTR2A
SCHEMBL19121854 0.67 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL627482 0.67 MAOA (0.58) BCHEMAOAPTGS1PTGS2HTR2A
SCHEMBL30184394 0.67 MAOA (0.58) BCHEMAOAPTGS1PTGS2HTR2A
SCHEMBL7649264 0.66 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed