Bromocriptine

Bromocriptine

SCHEMBL2405616

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DRD2DRD3DRD4

The experimentally established mechanism targets of Bromocriptine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 known ✓ P35462 5/20 0.96
DRD2 known ✓ P14416 4/20 0.96
DRD4 known ✓ P21917 1/20 0.96
KDM4E B2RXH2 10/20 1.00
MAPT P10636 10/20 1.00
CYP3A4 P08684 9/20 1.00
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
CYP2C9 P11712 7/20 1.00
HIF1A Q16665 7/20 1.00
ALDH1A1 P00352 7/20 1.00
LMNA P02545 5/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
USP2 O75604 5/20 1.00
NPSR1 Q6W5P4 4/20 1.00
ALOX15 P16050 1/20 1.00
STAT6 P42226 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
NFKB1 P19838 1/20 1.00
THPO P40225 1/20 1.00

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
Bromocriptine SCHEMBL29893478 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL40559 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL3393281 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL29360283 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL23468147 0.98 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL3134317 0.98 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL9526627 0.98 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL8032620 0.98 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL19276395 0.98 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL25297 0.98 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A

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
US-20110212090-A1 Combinatorial Analysis and Repair DAKO DENMARK A/S 2011-09-01 US disclosed