SCHEMBL9254466

SCHEMBL9254466

CN(C)C(=O)CNc1ccc(CCl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
LSS P48449 1/20 0.36
TSHR P16473 1/20 0.36
PRMT3 O60678 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA7 P43166 3/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL31262962 0.82 TSHR (0.55) CA1CA2CA12CA9HRH3
SCHEMBL807665 0.80 MAPT (0.48) CA1CA2CA12CA9FFAR1
SCHEMBL31262950 0.80 CA1 (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL23963287 0.80 HRH3 (0.45) CA1CA2CA12CA9HRH3
SCHEMBL7107232 0.80 HRH3 (0.45) CA1CA2CA12CA9HRH3
SCHEMBL4493412 0.79 CA12 (0.46) CA1CA2CA12CA9RAB9A
SCHEMBL20762355 0.79 CA12 (0.43) CA1CA2CA12CA9HRH3
SCHEMBL31263081 0.79 MAPT (0.44) CA1CA2CA12CA9ALDH1A1
SCHEMBL11622277 0.78 CA1 (0.44) CA1CA2FFAR1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11841695 0.78 CA1 (0.44) CA1CA2FFAR1RAB9ASMN1; SMN2

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-5432194-A Antiallergens, antinflammatory agents ABBOTT LABORATORIES (US) 1995-07-11 US disclosed
US-5346914-A Antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1994-09-13 US disclosed