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SCHEMBL30627978

SCHEMBL30627978

CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(N)CC(=O)O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.64
▸ CTSD P07339 1/20 0.62
▸ AGTR2 P50052 5/20 0.55
▸ AGTR1 P30556 1/20 0.55
▸ CXCR4 P61073 3/20 0.52
▸ FCGRT P55899 1/20 0.51

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
SCHEMBL29972919 0.86 F2 (0.55) REN
Neurokinin B SCHEMBL29390479 0.85 GRPR (0.59) —
Neurokinin B SCHEMBL29440672 0.85 GRPR (0.59) —
SCHEMBL30015314 0.82 REN (0.53) RENCTSDAGTR2AGTR1
SCHEMBL30350156 0.80 TACR3 (0.57) —
SCHEMBL31332191 0.79 F2 (0.58) —
SCHEMBL29419165 0.78 OPRD1 (0.61) —
SCHEMBL22077026 0.78 CALCR (0.59) —
SCHEMBL20639320 0.78 CALCR (0.59) —
Deltorphin A SCHEMBL29789418 0.78 REN (0.58) REN

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
US-20250270330-A1 TREATMENT OF HEADACHE DISORDERS WITH NK3 MODULATORS KALLYOPE, INC. 2025-08-28 — — US disclosed
EP-4514351-A1 TREATMENT OF HEADACHE DISORDERS WITH NK3 MODULATORS Kallyope, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211779-A1 TREATMENT OF HEADACHE DISORDERS WITH NK3 MODULATORS KALLYOPE, INC. (US) 2023-11-02 — — WO disclosed
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