SCHEMBL7216235

SCHEMBL7216235

C=Cc1ccc(CC(N)(CC)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CHRNA4 P43681 2/20 0.34
SLC6A2 P23975 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL27802846 0.85 ALDH1A1 (0.39) ALDH1A1CHRNA4SLC6A2HTR2ASLC6A4
SCHEMBL27802870 0.81 TNNC1 (0.41) ALDH1A1HTR2ATHRATHRBCA1
SCHEMBL27781275 0.80 ALDH1A1 (0.38) ALDH1A1CHRNA4SLC6A2TDP1HTR2A
SCHEMBL27520515 0.80 SLC6A2 (0.55) ALDH1A1CHRNA4SLC6A2TDP1HTR2A
SCHEMBL27802903 0.80 TNNC1 (0.43) ALDH1A1HTR2ATHRATHRBCA1
SCHEMBL27802899 0.80 TNNC1 (0.43) ALDH1A1HTR2ATHRATHRBCA1
SCHEMBL27781297 0.80 TNNC1 (0.43) ALDH1A1HTR2ATHRATHRBCA1
SCHEMBL6289217 0.78 ALDH1A1 (0.44) ALDH1A1CHRNA4SLC6A2TDP1HTR2A
SCHEMBL6751395 0.78 KDM4E (0.42) ALDH1A1CHRNA4TDP1CHRNB2CHRNB4
SCHEMBL16301950 0.76 ALDH1A1 (0.41) ALDH1A1CHRNA4CHRNB2CHRNB4CHRNA3

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
US-20030125467-A1 A crosslinked rubber particles containing conjugated diene monomer, aromatic vinyl monomer and monomer with at least two polymerizable unsaturated groups dispersed in a conjugated diene/aromatic vinyl copolymer; resist to rolling, skid, wear JSR CORPORATION (JP) 2003-07-03 US claimed
EP-0245505-B2 TERMINAL-MODIFIED BLOCK COPOLYMER AND COMPOSITION CONTAINING SAID COPOLYMER ASAHI CHEMICAL IND (JP) 1996-08-14 EP claimed
CN-103274937-B Soot dispersion agent and the lubricating oil composition containing this dispersion agent ENFENORM INTERNATIONAL CO. (GB) 2016-02-03 CN disclosed
EP-0430528-A1 Lube oil additive package containing viscosity index improver ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-06-05 EP disclosed