SCHEMBL6985466

SCHEMBL6985466

Cc1ccc(N2CCN(C(N)=O)CC2)cc1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1S P09871 2/20 0.51
F10 P00742 2/20 0.47
F2 P00734 3/20 0.40
HTR1A P08908 2/20 0.38
DRD4 P21917 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6984824 0.94 F10 (0.50) C1SF10F2HTR1ADRD4
SCHEMBL6979340 0.94 F10 (0.48) C1SF10F2HTR1ADRD4
SCHEMBL6982988 0.93 F10 (0.47) C1SF10F2HTR1ADRD4
SCHEMBL6979284 0.92 C1S (0.45) C1SF10F2HTR1ADRD4
SCHEMBL6969289 0.92 F10 (0.47) C1SF10F2HTR1ADRD4
SCHEMBL6982312 0.92 F10 (0.47) C1SF10F2HTR1ADRD4
SCHEMBL6979107 0.92 F10 (0.56) C1SF10F2HTR1ADRD4
SCHEMBL6980328 0.91 F10 (0.45) C1SF10F2KMT2AALDH1A1
SCHEMBL6982494 0.90 C1S (0.41) C1SF10F2KMT2AALDH1A1
SCHEMBL6983358 0.90 POLB (0.43) C1SF10F2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed