Bromocriptine

Bromocriptine

SCHEMBL9526627

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

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 1.00
DRD2 known ✓ P14416 4/20 1.00
DRD4 known ✓ P21917 1/20 1.00
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
ABCB1 P08183 7/20 1.00
LMNA P02545 5/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
ADRA2A P08913 5/20 1.00
DRD1 P21728 5/20 1.00
CYP2C19 P33261 4/20 1.00
ADRA2B P18089 4/20 1.00
ADRA2C P18825 4/20 1.00
ADRA1D P25100 4/20 1.00
HTR2A P28223 4/20 1.00
HTR2C P28335 4/20 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 SCHEMBL186901 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL29414631 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL29364057 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL8032620 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL19276395 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL23468147 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL3134319 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL3134317 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL25297 1.00 KDM4E (1.00) KDM4EMAPTCYP3A4MEN1KMT2A
Bromocriptine SCHEMBL11890530 1.00 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251732-B1 PROCESS FOR THE PREPARATION OF 2-HALOGENATED ERGOLINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1993-04-28 EP disclosed
US-4816587-A Process for the preparation of 2-halogenated ergoline derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-03-28 US disclosed
US-4697017-A Process for the preparation of 2-bromo-α-ergocryptine RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-09-29 US disclosed