SCHEMBL3790904

SCHEMBL3790904

CC1(I)CCCN1CCc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
CXCR3 P49682 1/20 0.39
HRH3 Q9Y5N1 3/20 0.36
TAAR1 Q96RJ0 3/20 0.35
HTR2A P28223 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
GRM2 Q14416 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4610606 0.84 KDM4E (0.40) SIGMAR1CXCR3HSD11B1NPC1HPGD
SCHEMBL4011082 0.77 KCNH2 (0.47) HRH3
SCHEMBL24266769 0.69 THRB (0.47) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL1241103 0.68 HRH3 (0.68) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL4960414 0.68 HRH3 (0.62) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL2730391 0.67 SIGMAR1 (0.57) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL17838148 0.67 SIGMAR1 (0.44) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL4591428 0.67 ALDH1A1 (0.41) CXCR3HSD11B1NPC1HPGDSMN1; SMN2
SCHEMBL6627983 0.66 HRH3 (0.71) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL626076 0.65 TAAR1 (0.68) TAAR1HTR2A

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-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 WO disclosed
EP-2074086-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-07-01 EP disclosed
WO-2008048609-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-04-24 WO disclosed