SCHEMBL5205578

SCHEMBL5205578

CN(Cc1ccc(N)cc1)C1CCSCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
GRIN2B Q13224 1/20 0.41
MAPT P10636 1/20 0.38
LTA4H P09960 2/20 0.36
PARP1 P09874 1/20 0.36
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
NAAA Q02083 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
CYP2D6 P10635 2/20 0.34
CHRM1 P11229 1/20 0.34
HRH1 P35367 1/20 0.34
GFER P55789 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL3085764 0.83 HRH3 (0.74) HRH3HRH4MAPTLTA4HPARP1
SCHEMBL313877 0.80 HRH3 (0.51) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL7684652 0.80 HRH3 (0.51) HRH3HRH4GRIN2BMAPTLTA4H
Hydrochloric Acid SCHEMBL7221627 0.79 HRH3 (0.50) HRH3HRH4GRIN2BMAPTLTA4H
Hydrochloric Acid SCHEMBL6340964 0.79 HRH3 (0.50) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL6614913 0.79 KDM4E (0.57) HRH3HRH4LTA4HALDH1A1KDM4E
SCHEMBL7682395 0.78 HRH3 (0.49) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL9451684 0.76 KDM4E (0.49) HRH3HRH4MAPTLTA4HALDH1A1
SCHEMBL31420275 0.76 HRH3 (0.47) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL7678304 0.75 HRH3 (0.45) HRH3HRH4GRIN2BMAPTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed