SCHEMBL6977634

SCHEMBL6977634

CN(c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.53
MAPT P10636 2/20 0.47
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6981551 0.90 NR3C1 (0.49) NR3C1MAPTALDH1A1MEN1HPGD
SCHEMBL6980127 0.88 NR3C1 (0.53) NR3C1ALDH1A1MEN1HPGDKMT2A
SCHEMBL6978012 0.86 NR3C1 (0.49) NR3C1MAPTALDH1A1MEN1HPGD
Hydrochloric Acid SCHEMBL6982241 0.86 NR3C1 (0.48) NR3C1MAPTALDH1A1MEN1HPGD
SCHEMBL6977636 0.85 ALDH1A1 (0.42) NR3C1MAPTALDH1A1MEN1HPGD
SCHEMBL7958817 0.85 NR3C1 (0.47) NR3C1MAPTALDH1A1MEN1HPGD
SCHEMBL6987763 0.85 NR3C1 (0.47) NR3C1MAPTALDH1A1HPGDLMNA
SCHEMBL6985998 0.85 NR3C1 (0.47) NR3C1MAPTALDH1A1MEN1HPGD
SCHEMBL7956609 0.84 NR3C1 (0.44) NR3C1MAPTALDH1A1MEN1HPGD
SCHEMBL6987628 0.84 NR3C1 (0.48) NR3C1MAPTALDH1A1MEN1HPGD

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
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