SCHEMBL6984049

SCHEMBL6984049

CCCCCCOC(=O)NC(=N)c1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.52
ADRB2 P07550 6/20 0.50
ADRB1 P08588 6/20 0.50
ADRB3 P13945 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL6978185 0.92 ALDH1A1 (0.51) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6981262 0.90 NR3C1 (0.53) NR3C1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6985425 0.89 NR3C1 (0.52) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6984844 0.83 USP2 (0.39) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6981558 0.82 NR3C1 (0.37) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6984052 0.82 ADRB2 (0.48) NR3C1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL6982740 0.81 NR3C1 (0.59) NR3C1SMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6981078 0.81 NR3C1 (0.58) NR3C1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6981576 0.80 NR3C1 (0.44) NR3C1BRD4CREBBP
Hydrochloric Acid SCHEMBL6980868 0.79 NR3C1 (0.56) NR3C1ADRB2ADRB1ADRB3SMN1; 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 2 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