Columbamine

Columbamine

SCHEMBL7604369

COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2.c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.78
LMNA P02545 4/20 0.78
MAPT P10636 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
KDM1A O60341 4/20 0.78
EP300 Q09472 4/20 0.78
ACHE P22303 4/20 0.78
ALDH1A1 P00352 3/20 0.78
RAD52 P43351 3/20 0.78
BCHE P06276 3/20 0.78
CYP1B1 Q16678 3/20 0.78
CYP2D6 P10635 2/20 0.78
CHRM1 P11229 2/20 0.78
DRD2 P14416 2/20 0.78
TSHR P16473 2/20 0.78
ADRA2B P18089 2/20 0.78
ADRA2C P18825 2/20 0.78
RXRA P19793 2/20 0.78
DRD1 P21728 2/20 0.78
HTR2B P41595 2/20 0.78

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
SCHEMBL29595926 0.88 KDM1A (0.85) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL15669190 0.88 ACHE (1.00) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL25632 0.88 ACHE (1.00) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL29354144 0.88 ACHE (1.00) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL30153843 0.88 ACHE (1.00) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL2538316 0.87 ACHE (0.98) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL3686644 0.87 ACHE (0.98) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL21462194 0.87 ACHE (0.98) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL153906 0.87 ACHE (1.00) CYP3A4LMNAMAPTSMN1; SMN2KDM1A
Berberine SCHEMBL4894622 0.87 BCHE (0.98) CYP3A4LMNAMAPTSMN1; SMN2KDM1A

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-1265485-A1 USE OF PIPERIDINE BENZODERIVATIVES AS FUNGICIDES Leis, Michelangelo (IT) 2002-12-18 EP claimed
WO-2001062089-A1 USE OF PIPERIDINE BENZODERIVATIVES AS FUNGICIDES LEIS MICHELANGELO (IT) 2001-08-30 WO claimed