SCHEMBL10469672

SCHEMBL10469672

CNC(=O)C1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.54
KCNQ2 O43526 1/20 0.53
PDPK1 O15530 1/20 0.51
ANO1 Q5XXA6 3/20 0.49
ROCK1 Q13464 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ACKR3 P25106 1/20 0.42

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
SCHEMBL3412231 0.90 PRMT5 (0.52) KCNQ2ANO1PRMT5WDR77TAS1R3
SCHEMBL10467510 0.90 PRMT5 (0.52) KCNQ2ANO1PRMT5WDR77TAS1R3
SCHEMBL31613076 0.90 PRMT5 (0.52) KCNQ2ANO1PRMT5WDR77TAS1R3
SCHEMBL19207602 0.83 PIN1 (0.54) PIN1KCNQ2PDPK1ANO1ROCK1
SCHEMBL29415781 0.83 PIN1 (0.54) PIN1KCNQ2PDPK1ANO1ROCK1
SCHEMBL21016972 0.82 P2RX7 (0.52) PIN1KCNQ2PDPK1ACKR3
SCHEMBL28937024 0.82 PIN1 (0.56) PIN1KCNQ2PDPK1ANO1ROCK1
SCHEMBL4742598 0.80 PIN1 (0.58) PIN1KCNQ2PDPK1ANO1TAS1R3
SCHEMBL8848989 0.80 PIN1 (0.58) PIN1KCNQ2PDPK1ANO1TAS1R3
SCHEMBL3591095 0.80 PIN1 (0.51) PIN1KCNQ2PDPK1ANO1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed
US-4013682-A N-HYDROXY-AMIDINE COMPOUNDS AKZONA INCORPORATED (US) 1977-03-22 US disclosed
US-3978126-A N-HYDROXY-AMIDINE COMPOUNDS AKZONA INCORPORATED (US) 1976-08-31 US disclosed