SCHEMBL6981264

SCHEMBL6981264

COC(=O)c1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)c(C(=N)N)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.48
NLRP3 Q96P20 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6978188 0.94 LMNA (0.54) NR3C1ALDH1A1LMNAHPGDNPSR1
SCHEMBL6985427 0.91 NR3C1 (0.49) NR3C1ALDH1A1LMNAHPGDNPSR1
SCHEMBL6984052 0.90 ADRB2 (0.48) NR3C1ALDH1A1LMNAHPGDNPSR1
Hydrochloric Acid SCHEMBL7409665 0.88 NR3C1 (0.54) NR3C1LMNASMN1; SMN2MAPTTP53
SCHEMBL6982740 0.83 NR3C1 (0.59) NR3C1LMNASMN1; SMN2MAPTTP53
Hydrochloric Acid SCHEMBL6985312 0.83 NR3C1 (0.47) NR3C1ALDH1A1LMNAHPGDNPSR1
Hydrochloric Acid SCHEMBL6979998 0.83 NR3C1 (0.49) NR3C1ALDH1A1LMNAHPGDNPSR1
Hydrochloric Acid SCHEMBL6981078 0.83 NR3C1 (0.58) NR3C1LMNASMN1; SMN2MAPTTP53
Iodide SCHEMBL7948982 0.82 NR3C1 (0.52) NR3C1LMNASMN1; SMN2MAPTTP53
SCHEMBL6976718 0.82 NR3C1 (0.42) NR3C1ALDH1A1LMNAHPGDNPSR1

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 6 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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed