SCHEMBL6984822

SCHEMBL6984822

N=C(N)c1ccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccc(F)cc4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.40
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
F10 P00742 2/20 0.40
GAA P10253 2/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
METAP2 P50579 1/20 0.39
PLG P00747 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL6982743 0.92 F2 (0.42) F2PRSS1PRSS2PRSS3F10
SCHEMBL6981764 0.91 METAP2 (0.42) SLC16A3GAAMETAP2ALDH1A1SMN1; SMN2
SCHEMBL6982764 0.86 FPR1 (0.43) SLC16A3GAAMETAP2ALDH1A1SMN1; SMN2
SCHEMBL6986102 0.83 MAPT (0.41) F2PRSS1F10PLGTPSAB1
SCHEMBL6984843 0.82 GAA (0.43) GAAMETAP2ALDH1A1MEN1KMT2A
SCHEMBL6977840 0.82 NR3C1 (0.53) F2PRSS1PRSS2PRSS3ST14
SCHEMBL6982528 0.82 MRGPRX1 (0.47) F2PRSS1F10MRGPRX1PLG
Hydrochloric Acid SCHEMBL6986046 0.81 NR3C1 (0.52) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6980157 0.79 F2 (0.43) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7411475 0.79 F2 (0.44) F2PRSS1PRSS2PRSS3F10

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 6 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
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
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