SCHEMBL7740918

SCHEMBL7740918

CC(CC(CON1C(=O)CCC1=O)N(C)C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.38
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
P2RX7 Q99572 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
ADAM17 P78536 1/20 0.33
GAA P10253 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
SCHEMBL7739829 0.82 ADRB2 (0.37) CRHBPCRHR2ADRB2ADRB1ADRB3
SCHEMBL7739823 0.82 ADRB2 (0.37) CRHBPCRHR2ADRB2ADRB1ADRB3
SCHEMBL7742502 0.81 CRHBP (0.42) CRHBPCRHR2ALDH1A1SMN1; SMN2MMP2
SCHEMBL7742500 0.81 CRHBP (0.42) CRHBPCRHR2ALDH1A1SMN1; SMN2MMP2
SCHEMBL6300641 0.80 ADRB2 (0.35) CRHBPCRHR2ADRB2ADRB1ADRB3
SCHEMBL6300644 0.80 MAPT (0.36) HTTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6300649 0.80 ADRB2 (0.35) CRHBPCRHR2ADRB2ADRB1ADRB3
SCHEMBL7740164 0.78 CRHBP (0.43) CRHBPCRHR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7740914 0.78 SMN1; SMN2 (0.35) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL6300643 0.78 ADRB2 (0.35) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2

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
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed