SCHEMBL6985832

SCHEMBL6985832

N#Cc1ccc(OCC(=O)N2CCCc3cc(NS(=O)(=O)c4cccc5ccccc45)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.46
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
TRIM24 O15164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
RORC P51449 1/20 0.43
OGG1 O15527 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
SCHEMBL6977885 0.87 NR3C1 (0.48) NR3C1BRD4CREBBPTRIM24SMN1; SMN2
SCHEMBL6980538 0.87 NR3C1 (0.56) NR3C1MAPTALDH1A1TRIM24SMN1; SMN2
SCHEMBL6985835 0.85 SLC16A3 (0.42) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7090170 0.83 MAPT (0.45) NR3C1BRD4CREBBPMAPTMEN1
SCHEMBL6980955 0.79 ROCK2 (0.43) NR3C1BRD4CREBBPSMN1; SMN2
SCHEMBL6982493 0.78 NR3C1 (0.50) NR3C1BRD4CREBBPTRIM24SMN1; SMN2
SCHEMBL6977179 0.76 NR3C1 (0.64) NR3C1BRD4CREBBPTRIM24SMN1; SMN2
SCHEMBL6982923 0.76 ALDH1A1 (0.40) NR3C1MAPTMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6984176 0.75 NR3C1 (0.55) NR3C1MAPTALDH1A1TRIM24SMN1; SMN2
SCHEMBL6977631 0.75 BRD4 (0.56) NR3C1BRD4CREBBPMAPTTRIM24

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