SCHEMBL11488016

SCHEMBL11488016

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 5/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ UTS2R Q9UKP6 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PRCP P42785 1/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ FFAR2 O15552 1/20 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
SCHEMBL11603164 0.89 AKT1 (0.40) AKT1MEN1KMT2AADRB2UTS2R
SCHEMBL11489175 0.86 SMN1; SMN2 (0.44) AKT1MEN1KMT2A
SCHEMBL11493561 0.86 FFAR1 (0.39) MEN1KMT2AUTS2R
SCHEMBL11494299 0.85 AKT1 (0.50) AKT1MEN1KMT2AADRB2UTS2R
SCHEMBL11489646 0.85 GRIA4 (0.46) ADRB2
SCHEMBL11606556 0.83 MAPK1 (0.38) MEN1KMT2AKDM4E
SCHEMBL11496377 0.83 SLC6A4 (0.45) AKT1ADRB2UTS2RFFAR2
SCHEMBL11492694 0.82 HTT (0.48) AKT1MEN1KMT2AUTS2RKDM4E
SCHEMBL11489472 0.82 AKT1 (0.44) AKT1KMT2AADRB2UTS2R
SCHEMBL11494123 0.81 UTS2R (0.47) UTS2R

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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