SCHEMBL11496377

SCHEMBL11496377

CNCCC(C)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ AKT1 P31749 5/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ HTR2A P28223 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ NOS2 P35228 1/20 0.38
▸ UTS2R Q9UKP6 2/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.37

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
SCHEMBL11489266 0.85 SLC6A4 (0.52) SLC6A4TAAR1SLC6A2HTR2ANOS2
SCHEMBL11489474 0.84 AKT1 (0.45) AKT1ADRB2UTS2R
SCHEMBL11485445 0.84 HTR2A (0.55) SLC6A4TAAR1SLC6A2HTR2AHRH1
SCHEMBL11488016 0.83 AKT1 (0.41) AKT1ADRB2UTS2RFFAR2
SCHEMBL11496175 0.82 SLC6A4 (0.45) SLC6A4TAAR1SLC6A2HTR2AHRH1
SCHEMBL11494299 0.81 AKT1 (0.50) AKT1ADRB2UTS2RFFAR2
SCHEMBL11603164 0.81 AKT1 (0.40) AKT1ADRB2UTS2RFFAR2
SCHEMBL11489472 0.81 AKT1 (0.44) AKT1ADRB2UTS2R
SCHEMBL11489088 0.80 MEN1 (0.44) SLC6A4AKT1SLC6A2HTR2AHRH1
SCHEMBL11496237 0.79 ADRB2 (0.43) AKT1ADRB2UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 — — US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 — — US disclosed
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