SCHEMBL6982322

SCHEMBL6982322

N=C(N)c1ccc(CCC(=O)N2CCCc3cc(N(CC(=O)O)S(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.47
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Hydrochloric Acid SCHEMBL6984704 0.91 NR3C1 (0.49) NR3C1ALDH1A1POLBMEN1HPGD
SCHEMBL6985778 0.90 NR3C1 (0.43) NR3C1ALDH1A1POLBF2MEN1
SCHEMBL6976360 0.90 NR3C1 (0.41) NR3C1ALDH1A1POLBMEN1HPGD
SCHEMBL6978671 0.89 F2 (0.46) NR3C1ALDH1A1POLBF2
SCHEMBL6978012 0.89 NR3C1 (0.49) NR3C1ALDH1A1POLBF2MEN1
Hydrochloric Acid SCHEMBL6982241 0.88 NR3C1 (0.48) NR3C1ALDH1A1POLBF2MEN1
SCHEMBL7958817 0.87 NR3C1 (0.47) NR3C1ALDH1A1POLBF2MEN1
SCHEMBL6981742 0.85 NR3C1 (0.49) NR3C1ALDH1A1POLBF2MEN1
Hydrochloric Acid SCHEMBL6981773 0.85 ITGB3 (0.41) NR3C1ALDH1A1F2HTT
SCHEMBL6976662 0.85 F2 (0.60) NR3C1ALDH1A1POLBF2KMT2A

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP claimed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US claimed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed