SCHEMBL19954748

SCHEMBL19954748

CCC(N)C(C)(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
KIF11 P52732 8/20 0.43
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KCNN4 O15554 2/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4403164 0.83 TAAR1 (0.45) TAAR1KIF11MAPK1KDM4ELMNA
SCHEMBL1619121 0.83 TAAR1 (0.50) TAAR1KIF11MAPK1KDM4ELMNA
SCHEMBL1527178 0.81 TAAR1 (0.43) TAAR1KIF11MAPK1KDM4ELMNA
Hydrochloric Acid SCHEMBL7066884 0.81 TAAR1 (0.48) TAAR1KIF11MAPK1KDM4ELMNA
Water SCHEMBL11571409 0.80 KIF11 (0.40) TAAR1KIF11MAPK1KDM4ELMNA
Hydrochloric Acid SCHEMBL11617495 0.79 KIF11 (0.39) TAAR1KIF11MAPK1KDM4ELMNA
Water SCHEMBL11570733 0.79 CSNK1E (0.44) TAAR1KIF11
SCHEMBL4592903 0.78 KIF11 (0.42) TAAR1KIF11MAPK1KDM4ELMNA
SCHEMBL28406429 0.78 TAAR1 (0.41) TAAR1KIF11MAPK1KDM4ELMNA
SCHEMBL10726204 0.77 CSNK1E (0.46) TAAR1KIF11

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-9917273-B2 Cross-linking polymer and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-13 US disclosed