SCHEMBL9764569

SCHEMBL9764569

Nc1c(Cl)cc(C(O)CN(CCCCCCOCC#Cc2ccc(C(=O)N3CCOCC3)cc2)Cc2ccccc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
HSD11B1 P28845 1/20 0.35
AOC3 Q16853 2/20 0.35
ACACB O00763 2/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.34
GRM5 P41594 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
NAMPT P43490 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
SCHEMBL9764279 0.88 NR1H3 (0.35)
SCHEMBL9764538 0.84 HPGD (0.35) ALDH1A1KMT2AHPGD
SCHEMBL9764548 0.80 KCNH2 (0.33)
SCHEMBL9764422 0.80 LTA4H (0.37) ALDH1A1KMT2AGAA
SCHEMBL10468372 0.79 NR1H3 (0.33) ALDH1A1GRM5
SCHEMBL10468374 0.79 NR1H3 (0.36)
SCHEMBL9319139 0.78 MAOB (0.38) ALDH1A1AOC3
SCHEMBL10466615 0.78 NR1H3 (0.34) KMT2A
SCHEMBL9764516 0.77 RORC (0.37) AOC3GAANAMPT
SCHEMBL9764358 0.77 ADRB2 (0.35)

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-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed