SCHEMBL28030819

SCHEMBL28030819

NCc1ccc(-c2cccc3c2C=C[CH]3)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
ADRB2 P07550 1/20 0.38
LTA4H P09960 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
AKT2 P31751 1/20 0.36
CYP2A6 P11509 1/20 0.35
LOXL2 Q9Y4K0 3/20 0.34
MAOB P27338 2/20 0.34
CSNK2A1 P68400 2/20 0.34
DPP4 P27487 1/20 0.32
ABAT P80404 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
SCHEMBL28148805 0.85 HTR7 (0.39) TAAR1LOXL2CSNK2A1
SCHEMBL6537049 0.83 ALDH1A1 (0.30) CYP2A6
SCHEMBL28041357 0.81 PNMT (0.37) TAAR1LOXL2CSNK2A1
SCHEMBL6650232 0.80 PTGS2 (0.36) TAAR1CD274CYP2A6DPP4
SCHEMBL7950472 0.80 HSD11B1 (0.39)
SCHEMBL26190 0.80 ALDH1A1 (0.37) CD274CYP2A6DPP4
SCHEMBL28030817 0.79 ALDH1A1 (0.35) AKT2CSNK2A1
SCHEMBL28031393 0.79 PTGS2 (0.40)
SCHEMBL28031409 0.79 PTGS2 (0.40)
SCHEMBL27463443 0.78 ALDH1A1 (0.35) CD274CYP2A6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008408-B METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER 日本聚乙烯株式会社 2017-05-10 CN disclosed
CN-105026408-A Metallocene compound, catalyst for olefin polymer, method for producing olefin polymer, and olefin polymer JAPAN POLYETHYLENE CORP 2015-11-04 CN disclosed
CN-105008408-A METHOD FOR PRODUCING ETHYLENE/[alpha]-OLEFIN COPOLYMER JAPAN POLYETHYLENE CORP 2015-10-28 CN disclosed