SCHEMBL22873307

SCHEMBL22873307

CC(C)Cc1ccccc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.48
KDM4E B2RXH2 6/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTT P42858 4/20 0.39
TP53 P04637 3/20 0.39

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
SCHEMBL31276090 1.00 TRPM8 (0.48) TRPM8KDM4ELMNACCR1CCR5
Bromide SCHEMBL27746577 0.85 KDM4E (0.41) TRPM8KDM4ELMNACCR1CCR5
SCHEMBL28454177 0.84 GABRA1 (0.47) TRPM8KDM4ELMNACCR1CCR5
SCHEMBL17573746 0.82 JAK2 (0.38) TRPM8KDM4ELMNACCR1CCR5
SCHEMBL7571404 0.81 PTGER1 (0.48) KDM4ECYP1A2POLBL3MBTL1SMN1; SMN2
SCHEMBL31358168 0.81 TRPM8 (0.43) TRPM8KDM4ELMNACCR1CCR5
SCHEMBL3054320 0.79 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4777973 0.79 KDM4E (0.50) TRPM8KDM4ELMNACCR1CCR5
SCHEMBL25625856 0.79 TRPM8 (0.40) TRPM8KDM4ELMNACCR1CCR5
SCHEMBL24888335 0.79 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3764415-A1 LIGHT EMITTING DEVICE AND DISPLAY PANEL INCLUDING SAME Samsung Display Co., Ltd (KR) 2021-01-13 EP disclosed
CN-109020877-B Alkyl modified aryl pyridine compound and preparation method thereof 同济大学 2020-08-18 CN disclosed