SCHEMBL29528192

SCHEMBL29528192

CC(C)(C)[C@H]1COC(c2ccccn2)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 7/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 7/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 4/20 0.35
TP53 P04637 3/20 0.35

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
SCHEMBL17709143 1.00 CNR2 (0.43) CNR2KDM4ELMNACYP1A2CCR1
SCHEMBL28384130 1.00 CNR2 (0.43) CNR2KDM4ELMNACYP1A2CCR1
SCHEMBL17709140 1.00 CNR2 (0.43) CNR2KDM4ELMNACYP1A2CCR1
SCHEMBL28741624 0.85 CNR2 (0.35) CNR2KDM4ELMNACYP1A2CCR1
Hydrochloric Acid SCHEMBL7176423 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7176559 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7183257 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7180528 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7183592 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7176684 0.83 CNR2 (0.41) CNR2KDM4ENPC1RAB9ASMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307432-A Synthesis method of alpha-substituted amide compound 南京工业大学 2024-07-09 CN claimed
CN-118307431-A Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide 南京工业大学 2024-07-09 CN claimed
CN-118307433-A Synthesis method of beta alkylamide 南京工业大学 2024-07-09 CN claimed
CN-116444400-A Chiral alpha- (trichloromethyl) amine compound and preparation method thereof 合肥工业大学 2023-07-18 CN claimed
CN-118307432-A Synthesis method of alpha-substituted amide compound 南京工业大学 2024-07-09 CN disclosed
CN-118307431-A Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide 南京工业大学 2024-07-09 CN disclosed
CN-118307432-A Synthesis method of alpha-substituted amide compound 南京工业大学 2024-07-09 CN disclosed
CN-118307431-A Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide 南京工业大学 2024-07-09 CN disclosed
CN-118307433-A Synthesis method of beta alkylamide 南京工业大学 2024-07-09 CN disclosed
CN-118307433-A Synthesis method of beta alkylamide 南京工业大学 2024-07-09 CN disclosed
CN-116444400-A Chiral alpha- (trichloromethyl) amine compound and preparation method thereof 合肥工业大学 2023-07-18 CN disclosed
CN-114269982-A Fabric coating composition 惠普发展公司,有限责任合伙企业 2022-04-01 CN disclosed