SCHEMBL31498033

SCHEMBL31498033

CCCCCn1c(C)c(-c2cccc3ccccc23)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.59
▸ CNR1 P21554 9/20 0.59
▸ SLC6A3 Q01959 1/20 0.59
▸ MEN1 O00255 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ TLR8 Q9NR97 2/20 0.46

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
SCHEMBL29673705 0.90 CNR2 (0.53) CNR2CNR1SLC6A3
SCHEMBL9657083 0.84 CNR2 (0.50) CNR2CNR1SLC6A3MEN1ALDH1A1
SCHEMBL28763406 0.81 KDM4E (0.63) CNR2CNR1SLC6A3ALDH1A1MAPT
SCHEMBL9869124 0.77 CNR2 (0.62) CNR2CNR1SLC6A3
SCHEMBL29387398 0.76 CNR2 (0.57) CNR2CNR1SLC6A3
SCHEMBL19638844 0.76 CNR2 (0.57) CNR2CNR1SLC6A3
SCHEMBL6013329 0.76 KDM4E (0.59) CNR2CNR1SLC6A3ALDH1A1
SCHEMBL4856635 0.76 CNR2 (0.49) CNR2CNR1SLC6A3TLR8
SCHEMBL16344141 0.74 CNR2 (1.00) CNR2CNR1SLC6A3MEN1NR1I2
SCHEMBL29362163 0.74 CNR2 (1.00) CNR2CNR1SLC6A3MEN1NR1I2

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
CN-119497589-A Therapeutic combinations, compositions and methods for designing and producing conditions that promote mental well-being 心境设计实验室股份有限公司 2025-02-21 — — CN disclosed
Send feedback