SCHEMBL7450587

SCHEMBL7450587

Cc1c(C2(C(=O)N3CCCC3)CC2)ccc2[nH]c(CNc3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.52
F10 P00742 3/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
KLK1 P06870 7/20 0.45
KLK5 Q9Y337 7/20 0.45
PLG P00747 1/20 0.39
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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 SCHEMBL7449290 0.99 F2 (0.51) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7446718 0.98 F2 (0.51) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7450551 0.82 KLK1 (0.43) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7443580 0.82 F2 (0.36) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7447723 0.81 KLK1 (0.37) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7451995 0.80 KLK1 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6457217 0.78 F2 (0.56) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7448447 0.77 F2 (0.56) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7451035 0.77 F2 (0.56) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7450198 0.77 KLK1 (0.43) F2F10PRSS1PRSS2PRSS3

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-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP claimed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO claimed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed