SCHEMBL24399780

SCHEMBL24399780

CC(C)C(C)(c1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 1/20 0.37
KCNN4 O15554 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 3/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
RIPK1 Q13546 1/20 0.34
CYP3A4 P08684 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8495495 0.84 TAAR1 (0.36) CYP2D6CYP1A2KCNN4MAPK1CYP2C19
SCHEMBL27668560 0.77 CYP2D6 (0.38) CYP2D6CYP1A2KCNN4MAPK1CYP2C19
SCHEMBL3390152 0.76 RIPK1 (0.38) CYP2D6CYP1A2MAPK1CYP2C19ALDH1A1
SCHEMBL2038162 0.73 KCNN4 (0.42) KCNN4MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL28625822 0.72 TSHR (0.37) CYP2D6CYP1A2KCNN4CYP2C19ALDH1A1
SCHEMBL8061599 0.71 KCNN4 (0.41) CYP2D6KCNN4MAPK1CYP2C19HIF1A
SCHEMBL45354 0.69 MEN1 (0.40) CYP2D6CYP1A2KCNN4MAPK1CYP2C19
SCHEMBL12721861 0.69 MEN1 (0.40) CYP2D6CYP1A2KCNN4MAPK1CYP2C19
SCHEMBL2119818 0.69 MEN1 (0.40) CYP2D6CYP1A2KCNN4MAPK1CYP2C19
SCHEMBL21534536 0.68 TAAR1 (0.40) CYP2D6KCNN4MAPK1CYP2C19HIF1A

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-20220140022-A1 ORGANIC LIGHT EMITTING DEVICE, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ILLUMINATION APPARATUS, AND MOVING OBJECT CANON KK (JP) 2022-05-05 US disclosed