SCHEMBL6978677

SCHEMBL6978677

N=C(N)c1ccc(CCC(=O)N2CCCc3cc(NC(C(=O)O)S(=O)(=O)c4cccc5ccccc45)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.40
F10 P00742 4/20 0.39
F2 P00734 3/20 0.39
PARP1 P09874 1/20 0.38
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
TP53 P04637 1/20 0.35

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 SCHEMBL6985449 0.99 NR3C1 (0.40) NR3C1F10F2PARP1RAB9A
SCHEMBL7956926 0.93 F2 (0.43) NR3C1F10F2PARP1
SCHEMBL6976671 0.90 F2 (0.41) NR3C1F10F2ALDH1A1TP53
SCHEMBL6982923 0.88 ALDH1A1 (0.40) NR3C1F10RAB9AALDH1A1TP53
Hydrochloric Acid SCHEMBL6982383 0.87 ALDH1A1 (0.39) NR3C1F10F2RAB9AALDH1A1
SCHEMBL6976365 0.86 NR3C1 (0.45) NR3C1F10RAB9AALDH1A1TP53
Hydrochloric Acid SCHEMBL6977752 0.86 F2 (0.49) NR3C1F10F2
SCHEMBL6985022 0.84 NR3C1 (0.40) NR3C1F10F2PARP1RAB9A
SCHEMBL6981747 0.81 NR3C1 (0.44) NR3C1ALDH1A1TP53
Hydrochloric Acid SCHEMBL6982622 0.81 NR3C1 (0.38) NR3C1F10F2PARP1RAB9A

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 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-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