SCHEMBL5212497

SCHEMBL5212497

CN(CCc1ccc(N)cc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
SIGMAR1 Q99720 3/20 0.48
CHIA Q9BZP6 8/20 0.44
CHIT1 Q13231 7/20 0.44
SLC18A3 Q16572 1/20 0.44
GRIN2B Q13224 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
GFER P55789 1/20 0.42

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
SCHEMBL16360093 0.85 HRH3 (0.53) HRH3HRH4SIGMAR1CHIACHIT1
SCHEMBL3075455 0.84 CHIA (0.43) SIGMAR1CHIACHIT1GRIN2BGFER
SCHEMBL3085764 0.83 HRH3 (0.74) HRH3HRH4SIGMAR1SLC18A3
SCHEMBL2839407 0.83 SLC18A3 (0.62) HRH3HRH4SIGMAR1CHIASLC18A3
SCHEMBL27820511 0.81 SLC18A3 (0.64) SIGMAR1CHIASLC18A3GRIN2BOPRM1
SCHEMBL9451529 0.80 CHIA (0.54) SIGMAR1CHIACHIT1GFER
SCHEMBL31455232 0.79 TAS2R14 (0.41) SIGMAR1CHIACHIT1SLC18A3GRIN2B
SCHEMBL6224694 0.78 HRH3 (0.68) HRH3HRH4SIGMAR1GFER
SCHEMBL12156434 0.76 NFE2L2 (0.56)
SCHEMBL14484048 0.76 NFE2L2 (0.56)

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