SCHEMBL6977840

SCHEMBL6977840

N=C(N)c1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.53
BRD4 O60885 1/20 0.51
CREBBP Q92793 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45

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 SCHEMBL6986046 0.99 NR3C1 (0.52) NR3C1BRD4CREBBPSMN1; SMN2LMNA
SCHEMBL6982740 0.92 NR3C1 (0.59) NR3C1SMN1; SMN2LMNAMAPTTP53
Hydrochloric Acid SCHEMBL6981078 0.91 NR3C1 (0.58) NR3C1SMN1; SMN2LMNAMAPTTP53
SCHEMBL6981763 0.90 BRD4 (0.54) NR3C1BRD4CREBBPSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6980868 0.89 NR3C1 (0.56) NR3C1SMN1; SMN2MEN1KMT2AF2
Hydrochloric Acid SCHEMBL6986049 0.89 NR3C1 (0.60) NR3C1SMN1; SMN2LMNAMAPTTP53
Hydrochloric Acid SCHEMBL6977280 0.87 NR3C1 (0.61) NR3C1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6982759 0.86 BRD4 (0.53) NR3C1BRD4CREBBPSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6976598 0.86 NR3C1 (0.49) NR3C1SMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6985252 0.86 NR3C1 (0.47) NR3C1BRD4CREBBPSMN1; SMN2LMNA

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 9 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
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