SCHEMBL21850486

SCHEMBL21850486

CCc1ccnc(C)c1CC1C(C)C1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
HTR1A P08908 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL7117691 0.79 NOS2 (0.45) NOS2NOS3HTR1ATAAR1
SCHEMBL25652149 0.74 KDM4E (0.40) NOS2NOS3HTR1ATAAR1
Hydrochloric Acid SCHEMBL11412747 0.74 NOS2 (0.37) NOS2NOS3HTR1ATAAR1
SCHEMBL25652146 0.74 NOS2 (0.37) NOS2NOS3HTR1ATAAR1
SCHEMBL11412750 0.70 NOS2 (0.38) NOS2NOS3HTR1ATAAR1
SCHEMBL3801869 0.69 NOS2 (0.38) NOS2NOS3HTR1ATAAR1
SCHEMBL21850515 0.67 NOS3 (0.32) NOS2NOS3HTR1ATAAR1
SCHEMBL357771 0.66 NOS2 (0.64) NOS2NOS3HTR1ATAAR1
SCHEMBL23193106 0.66 GABRA1 (0.48) NOS2NOS3
SCHEMBL11970836 0.66 NOS3 (0.35) NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 EP disclosed