Sugi Predict

Sugi Predict / Compounds / Ganirelix

Ganirelix

Ganirelix

SCHEMBL13625244

CC/N=C(\NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C(Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCCC1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

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

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GNRHR known ✓ P30968 12/20 0.89
▸ DRD1 P21728 1/20 0.82
▸ OPRM1 P35372 1/20 0.82
▸ MRGPRX2 Q96LB1 1/20 0.82
▸ ABCB11 O95342 1/20 0.81

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
Ganirelix SCHEMBL29390389 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL13624942 1.00 GNRHR (0.89) GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL17034758 0.97 GNRHR (0.83) GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL8261645 0.96 GNRHR (0.83) GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL16298564 0.96 GNRHR (0.83) GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL4405429 0.95 GNRHR (0.98) GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL19712192 0.95 GNRHR (0.98) GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL719978 0.95 GNRHR (0.98) GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL20521061 0.94 GNRHR (1.00) GNRHRDRD1OPRM1MRGPRX2ABCB11
Ganirelix SCHEMBL29402980 0.94 GNRHR (1.00) GNRHRDRD1OPRM1MRGPRX2ABCB11

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
US-20090280169-A1 Compositions of peptides and processes of preparation thereof MERRION RESEARCH III LIMITED 2009-11-12 — — US disclosed
US-20090280169-A1 Compositions of peptides and processes of preparation thereof MERRION RESEARCH III LIMITED 2009-11-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090280169-A1 Compositions of peptides and processes of preparation thereof IAPP, VIP, CETP GNRHR 2351/4885DRD1 3441/4885OPRM1 3508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.