SCHEMBL15670490

SCHEMBL15670490

COC(=O)[C@@H](N)CCC(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
LTA4H P09960 3/20 0.33
KIF11 P52732 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC1A1 P43005 1/20 0.31

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
SCHEMBL15705454 1.00 CA1 (0.35) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL15664934 0.98 NOS2 (0.36) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL15664935 0.98 NOS2 (0.36) CA1CA2NOS2NOS3NOS1
SCHEMBL15705458 0.93 CA1 (0.39) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL15665182 0.91 CA1 (0.38) CA1CA2NOS2NOS3NOS1
SCHEMBL1068024 0.86 CA1 (0.38) CA1CA2NOS2NOS3NOS1
SCHEMBL206673 0.86 CA1 (0.38) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL1068022 0.85 NOS2 (0.39) CA1CA2NOS2NOS3NOS1
Hydrochloric Acid SCHEMBL15666248 0.85 NOS2 (0.39) CA1CA2NOS2NOS3NOS1
SCHEMBL30365166 0.84 CA1 (0.38) CA1CA2NOS2NOS3NOS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914596-B1 HYDROXY SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE CARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-3180006-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-06-21 EP disclosed
WO-2016023885-A1 SUBSTITUTED QUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-18 WO disclosed
EP-2914596-A1 HYDROXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS Bayer Pharma Aktiengesellschaft (DE) 2015-09-09 EP disclosed
WO-2014068104-A1 HYDROXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 WO disclosed