SCHEMBL5733737

SCHEMBL5733737

CC(C)N(Cc1ccc(C(=O)N2CCNCC2)cc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.54
SIGMAR1 Q99720 1/20 0.53
HPGD P15428 2/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 2/20 0.46
LSS P48449 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL10260239 0.79 SIGMAR1 (0.62) SIGMAR1HPGDLMNAMKNK1MKNK2
SCHEMBL8358137 0.78 SIGMAR1 (0.81) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL5735314 0.78 MEN1 (0.57) HRH3HDAC1HDAC8HDAC6LMNA
Hydrochloric Acid SCHEMBL25324901 0.78 HPGD (0.63) SIGMAR1HPGDLMNAMKNK1MKNK2
SCHEMBL8934917 0.77 SIGMAR1 (0.64) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL20245216 0.77 SIGMAR1 (0.58) SIGMAR1HPGDMKNK1MKNK2GABRD
SCHEMBL12015795 0.76 ALDH1A1 (0.71) SIGMAR1HPGDLMNAMKNK1MKNK2
SCHEMBL5735319 0.75 LMNA (0.65) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5735712 0.75 MAPK1 (0.57) HRH3HPGDLMNAKMT2AALDH1A1
SCHEMBL5735015 0.75 MEN1 (0.56) HDAC1HDAC8HDAC6KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed