SCHEMBL5209926

SCHEMBL5209926

COCCCN(C)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.44
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MLNR O43193 1/20 0.40
SMPD1 P17405 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
LTA4H P09960 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3151763 0.89 LTA4H (0.47) MAPTKCNH2SIGMAR1CARM1PRMT6
SCHEMBL7971811 0.83 MAPT (0.47) MAPTLMNAKCNH2SIGMAR1HRH3
SCHEMBL3143671 0.83 TSHR (0.44) MAPTCARM1PRMT6PRMT8ACHE
SCHEMBL11795494 0.82 LMNA (0.62) LMNASIGMAR1CARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL5206350 0.82 MAPT (0.46) MAPTLMNAKCNH2SIGMAR1HRH3
SCHEMBL3143091 0.80 MAPT (0.50) MAPTKCNH2SIGMAR1HRH3CARM1
SCHEMBL29954989 0.79 LPL (0.42) LMNAKCNH2SIGMAR1HRH3BCHE
SCHEMBL24881124 0.79 CARM1 (0.52) MAPTKCNH2SIGMAR1CARM1PRMT6
SCHEMBL5205808 0.79 MAPT (0.49) MAPTSIGMAR1CARM1PRMT6PRMT8
SCHEMBL11779614 0.78 BCHE (0.49) MAPTKCNH2SIGMAR1HRH3BCHE

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 9 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-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed