SCHEMBL6982740

SCHEMBL6982740

N=C(N)c1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.59
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.46
F2 P00734 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
Hydrochloric Acid SCHEMBL6981078 0.99 NR3C1 (0.58) NR3C1SMN1; SMN2MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL6980868 0.97 NR3C1 (0.56) NR3C1SMN1; SMN2MEN1KMT2AF2
Hydrochloric Acid SCHEMBL6976392 0.94 KMT2A (0.53) NR3C1SMN1; SMN2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6985288 0.92 OGG1 (0.49) NR3C1TP53F2
SCHEMBL6977840 0.92 NR3C1 (0.53) NR3C1SMN1; SMN2MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL6976598 0.91 NR3C1 (0.49) NR3C1SMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6980119 0.91 NR3C1 (0.56) NR3C1SMN1; SMN2KMT2ATP53MAPT
Hydrochloric Acid SCHEMBL6986046 0.91 NR3C1 (0.52) NR3C1SMN1; SMN2MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL6985450 0.91 ADRB2 (0.56) NR3C1SMN1; SMN2MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL6977280 0.90 NR3C1 (0.61) NR3C1SMN1; SMN2MEN1KMT2ALMNA

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