SCHEMBL28787940

SCHEMBL28787940

NC(=O)c1scc(Cc2ccccc2)c1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ HRH1 P35367 5/20 0.42
▸ GABRB2 P47870 1/20 0.41
▸ HTR1A P08908 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ HTR6 P50406 1/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ EIF2AK3 Q9NZJ5 1/20 0.35
▸ HTR2C P28335 1/20 0.35

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
SCHEMBL23111537 0.72 HRH1 (0.48) GABRA1GABRG2GABRB3HRH1GABRB2
SCHEMBL8598701 0.70 GABRA1 (0.44) GABRA1GABRG2GABRB3HRH1GABRB2
SCHEMBL30979860 0.70 MAPK8 (0.54) PLA2G10PLA2G2A
SCHEMBL7496907 0.70 SLC6A2 (0.60) GABRA1GABRG2GABRB3HRH1GABRB2
SCHEMBL20400462 0.69 PARP1 (0.44) HTR1ASLC6A2SLC6A4SLC6A3IKBKB
Hydrochloric Acid SCHEMBL11195226 0.68 SLC6A2 (0.59) GABRA1GABRG2GABRB3HRH1GABRB2
Hydrochloric Acid SCHEMBL11200015 0.68 SLC6A2 (0.59) GABRA1GABRG2GABRB3HRH1GABRB2
SCHEMBL15533083 0.68 PARP1 (0.44) HTR1ASLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL12467974 0.68 GABRA1 (0.43) GABRA1GABRG2GABRB3HRH1GABRB2
SCHEMBL21714170 0.68 LIMK1 (0.51) IKBKBCHUKSLC18A3SIGMAR1HTR2C

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
CN-102056933-B Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV 2014-09-17 — — CN claimed
CN-102056933-A Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV 2011-05-11 — — CN claimed
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