SCHEMBL30608698

SCHEMBL30608698

[2H]C1(N)CC2CC1c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.39
KDM1B Q8NB78 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MAOB P27338 8/20 0.35
MAOA P21397 7/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2B6 P20813 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 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
SCHEMBL5704636 0.78 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL5341308 0.78 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL7329314 0.78 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL7329321 0.78 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL14284253 0.78 KDM1A (0.57) KDM1AKDM1BMAOBMAOACYP2C19
Hydrochloric Acid SCHEMBL11695201 0.77 KDM1A (0.59) KDM1AKDM1BMAOBMAOACYP2C19
SCHEMBL18544377 0.71 CHRNB4 (0.43) KDM1AKDM1BCHRNB4CHRNA3MAOB
SCHEMBL10486425 0.70 CHRNB4 (0.41) KDM1AKDM1BCHRNB4CHRNA3SLC6A2
SCHEMBL6928599 0.70 CHRNB4 (0.41) KDM1AKDM1BCHRNB4CHRNA3
SCHEMBL956736 0.70 CHRNB4 (0.41) KDM1AKDM1BCHRNB4CHRNA3SLC6A2

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
CN-114514038-B Micelle nanoparticle and use thereof 生物欧赛加有限责任公司 2024-08-06 CN disclosed
CN-116963722-A Micelle nanoparticle and use thereof 生物欧赛加有限责任公司 2023-10-27 CN disclosed