SCHEMBL11884633

SCHEMBL11884633

CN(CCCn1cnc2c1c(=O)n(C)c(=O)n2C)CCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.78
ALDH1A1 P00352 2/20 0.74
ADORA2B P29275 6/20 0.65
RXFP1 Q9HBX9 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CNOT7 Q9UIV1 2/20 0.60
PARN O95453 1/20 0.56
POLB P06746 2/20 0.56
MAOB P27338 2/20 0.56
HIF1A Q16665 1/20 0.56
HTR7 P34969 1/20 0.54
HTR6 P50406 1/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAOA P21397 1/20 0.53

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
SCHEMBL15012556 0.93 ALDH1A1 (0.77) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL17786242 0.85 ALDH1A1 (1.00) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL18166667 0.83 ALDH1A1 (0.61) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL683583 0.81 ADORA2B (0.72) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL14754322 0.81 ALDH1A1 (0.69) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL10501627 0.79 TSHR (0.74) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL1944405 0.79 ADORA2B (1.00) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL16120979 0.78 ADORA2B (0.85) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL16120975 0.78 ADORA2B (0.88) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2
SCHEMBL10895834 0.78 TSHR (0.72) TSHRALDH1A1ADORA2BRXFP1SMN1; SMN2

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
US-3926995-A ANTIALLERGY, BRONCHIODILATOR KNOLL AG 1975-12-16 US disclosed