SCHEMBL29356757

SCHEMBL29356757

Cc1ccc(C2CCCCN2C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.48
TRPC6 Q9Y210 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RIPK1 Q13546 1/20 0.46
PRMT5 O14744 5/20 0.44
WDR77 Q9BQA1 5/20 0.44
ROCK2 O75116 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.40
AGTR2 P50052 1/20 0.40

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
Toluene SCHEMBL28245885 0.90 TRPC3 (0.56) TRPC3TRPC6MAOAMAOBRIPK1
SCHEMBL5197715 0.84 CCNC (0.53) RIPK1ALDH1A1HSD11B1
SCHEMBL938757 0.84 RIPK1 (0.59) TRPC3TRPC6RIPK1PRMT5WDR77
SCHEMBL5195419 0.84 HSD17B10 (0.58) MAOAMAOBROCK2PARP14PARP10
SCHEMBL17142323 0.81 RIPK1 (0.55) TRPC3TRPC6RIPK1PRMT5WDR77
SCHEMBL6153199 0.81 OPRD1 (0.46) RIPK1ROCK2ALDH1A1GAAPOLB
SCHEMBL21425146 0.79 RIPK1 (0.50) TRPC3TRPC6RIPK1ROCK2HSD11B1
SCHEMBL38658434 0.79 RIPK1 (0.47) RIPK1ROCK2ALDH1A1POLBHSD11B1
SCHEMBL4776278 0.79 RIPK1 (0.65) RIPK1HSD11B1PARP14PARP10
Hydrochloric Acid SCHEMBL16610762 0.78 MAOA (0.46) TRPC3TRPC6MAOAMAOBRIPK1

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-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed