SCHEMBL30704396

SCHEMBL30704396

O=c1oc2ccccc2cc1OCCCCBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
MAOA P21397 2/20 0.46
POLB P06746 3/20 0.45
HPGD P15428 2/20 0.45
TYR P14679 1/20 0.45
DAO P14920 1/20 0.45
AKR1B1 P15121 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
TSHR P16473 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL5617167 0.85 POLB (0.45) MAOBPOLBHPGDTYRDAO
SCHEMBL7522059 0.85 KDM4E (0.52) MAOBMAOAPOLBHPGDTYR
SCHEMBL14634607 0.84 HPGD (0.47) MAOBPOLBHPGDTYRDAO
SCHEMBL38651911 0.84 MAOB (0.53) MAOBMAOAPOLBHPGDTYR
SCHEMBL11098991 0.84 ALDH1A1 (0.53) MAOBMAOAPOLBHPGDTYR
SCHEMBL11303840 0.84 POLB (0.50) MAOBPOLBHPGDTYRDAO
SCHEMBL7566904 0.82 KDM4E (0.58) MAOBMAOAPOLBHPGDTYR
SCHEMBL28816255 0.82 ALDH1A1 (0.53) MAOBPOLBHPGDTYRDAO
SCHEMBL15635414 0.81 POLB (0.49) MAOBMAOAPOLBHPGDTYR
Hydrochloric Acid SCHEMBL31460606 0.81 POLB (0.50) MAOBPOLBHPGDTYRDAO

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-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN disclosed