SCHEMBL6984817

SCHEMBL6984817

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.54
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL6979366 0.90 NR3C1 (0.54) NR3C1BRD4CREBBPSMN1; SMN2MEN1
SCHEMBL6985317 0.87 NR3C1 (0.58) NR3C1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL6983499 0.86 NR3C1 (0.59) NR3C1BRD4CREBBPSMN1; SMN2KMT2A
SCHEMBL6977969 0.85 NR3C1 (0.56) NR3C1SMN1; SMN2MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL6982871 0.85 NR3C1 (0.52) NR3C1BRD4CREBBPSMN1; SMN2MEN1
SCHEMBL6984821 0.85 TUBB4A (0.40) NR3C1MEN1KMT2ATP53MAPT
SCHEMBL6982229 0.84 NR3C1 (0.60) NR3C1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL6987600 0.84 NR3C1 (0.54) NR3C1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL6982759 0.82 BRD4 (0.53) NR3C1BRD4CREBBPSMN1; SMN2MEN1
SCHEMBL6984210 0.82 KMT2A (0.55) NR3C1MEN1KMT2AADRB2ADRB1

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