SCHEMBL7684652

SCHEMBL7684652

CN(Cc1ccc(N)cc1)C1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
SLC18A3 Q16572 1/20 0.40
GRIN2B Q13224 1/20 0.38
MAPT P10636 1/20 0.38
LTA4H P09960 3/20 0.36
PARP1 P09874 1/20 0.36
ACVR1 Q04771 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
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 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
SCHEMBL7316288 0.83 HRH3 (0.51) HRH3HRH4SLC18A3ALDH1A1SLC6A2
SCHEMBL3085764 0.83 HRH3 (0.74) HRH3HRH4SLC18A3MAPTLTA4H
SCHEMBL24495214 0.81 HRH3 (0.49) HRH3HRH4SLC18A3GRIN2BLTA4H
SCHEMBL7682395 0.81 HRH3 (0.49) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL5205578 0.80 HRH3 (0.51) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL313877 0.80 HRH3 (0.51) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL31420275 0.80 HRH3 (0.47) HRH3HRH4GRIN2BMAPTLTA4H
Hydrochloric Acid SCHEMBL6340964 0.79 HRH3 (0.50) HRH3HRH4GRIN2BMAPTLTA4H
Hydrochloric Acid SCHEMBL7221627 0.79 HRH3 (0.50) HRH3HRH4GRIN2BMAPTLTA4H
SCHEMBL6614913 0.79 KDM4E (0.57) HRH3HRH4LTA4HKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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