SCHEMBL7619901

SCHEMBL7619901

NCC(N)CCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
S1PR2 O95136 1/20 0.57
S1PR4 O95977 1/20 0.57
S1PR1 P21453 1/20 0.57
S1PR3 Q99500 1/20 0.57
HTR2A P28223 3/20 0.50
MAOB P27338 2/20 0.50
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
EPHX1 P07099 1/20 0.45
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 1/20 0.44
GRIK1 P39086 1/20 0.44

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
SCHEMBL7622782 0.94 MAOA (0.54) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL3442080 0.85 HTR2A (0.52) MAOAHTR2AMAOBCYP2A6SMN1; SMN2
SCHEMBL11805109 0.85 S1PR2 (0.62) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL3266047 0.83 S1PR2 (0.59) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL28779881 0.82 S1PR2 (0.59) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL5679384 0.82 ANPEP (0.57) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL28163522 0.82 MAOA (0.67) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL11816141 0.82 S1PR2 (0.59) MAOAS1PR2S1PR4S1PR1S1PR3
SCHEMBL7310306 0.82 S1PR2 (0.59) MAOAS1PR2S1PR4S1PR1S1PR3
Hydrochloric Acid SCHEMBL1979100 0.81 S1PR2 (0.57) MAOAS1PR2S1PR4S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed