SCHEMBL6983499

SCHEMBL6983499

N#Cc1cccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.59
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.47
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL6985317 0.91 NR3C1 (0.58) NR3C1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL6977969 0.90 NR3C1 (0.56) NR3C1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL6984210 0.86 KMT2A (0.55) NR3C1KMT2AADRB2ADRB1ADRB3
SCHEMBL6982229 0.86 NR3C1 (0.60) NR3C1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL6984817 0.86 NR3C1 (0.54) NR3C1SMN1; SMN2KMT2ABRD4CREBBP
SCHEMBL6974898 0.86 NR3C1 (0.52) NR3C1SMN1; SMN2KMT2ABRD4CREBBP
SCHEMBL6979366 0.86 NR3C1 (0.54) NR3C1SMN1; SMN2KMT2ABRD4CREBBP
SCHEMBL6976398 0.85 NR3C1 (0.51) NR3C1SMN1; SMN2KMT2ATP53
SCHEMBL6983505 0.84 NR3C1 (0.42) NR3C1KMT2AMAPTTP53LMNA
SCHEMBL7085527 0.84 NR3C1 (0.51) NR3C1SMN1; SMN2KMT2AMAPTTP53

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 3 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
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