SCHEMBL6981833

SCHEMBL6981833

CCCCS(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)CCc1ccc(CN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.51
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TRIM24 O15164 2/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
SMAD3 P84022 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
SCHEMBL6982524 0.90 NR3C1 (0.51) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
SCHEMBL6984139 0.90 NR3C1 (0.50) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
Hydrochloric Acid SCHEMBL6987687 0.89 NR3C1 (0.50) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
SCHEMBL6984828 0.85 NR3C1 (0.56) NR3C1BRD4CREBBPSMN1; SMN2MEN1
SCHEMBL6982938 0.84 NR3C1 (0.51) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
Hydrochloric Acid SCHEMBL6981120 0.83 NR3C1 (0.51) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
SCHEMBL6982229 0.82 NR3C1 (0.60) NR3C1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL6981837 0.81 AVPR2 (0.39) NR3C1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6981550 0.81 BRD4 (0.57) NR3C1BRD4CREBBPSMN1; SMN2TRIM24
SCHEMBL6982757 0.81 NR3C1 (0.50) NR3C1BRD4CREBBPSMN1; SMN2MEN1

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