SCHEMBL6982229

SCHEMBL6982229

NCc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.60
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49

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
SCHEMBL6981763 0.91 BRD4 (0.54) NR3C1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6982740 0.89 NR3C1 (0.59) NR3C1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6985317 0.89 NR3C1 (0.58) NR3C1SMN1; SMN2KMT2AMEN1TP53
Hydrochloric Acid SCHEMBL6981078 0.89 NR3C1 (0.58) NR3C1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6984828 0.88 NR3C1 (0.56) NR3C1SMN1; SMN2KMT2AMEN1
SCHEMBL6981550 0.88 BRD4 (0.57) NR3C1SMN1; SMN2KMT2ATP53MAPT
SCHEMBL6977969 0.87 NR3C1 (0.56) NR3C1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL6982493 0.87 NR3C1 (0.50) NR3C1SMN1; SMN2
Hydrochloric Acid SCHEMBL6980868 0.87 NR3C1 (0.56) NR3C1SMN1; SMN2KMT2AMEN1ADRB2
SCHEMBL6983499 0.86 NR3C1 (0.59) NR3C1SMN1; SMN2KMT2ATP53MAPT

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 8 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 claimed
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 claimed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP claimed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO claimed
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