SCHEMBL29628862

SCHEMBL29628862

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(N)=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.48
▸ EPHA2 P29317 2/20 0.46
▸ TFPI P10646 4/20 0.45
▸ OPRM1 P35372 6/20 0.45
▸ OPRK1 P41145 6/20 0.45
▸ APLNR P35414 1/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ RAMP3 O60896 2/20 0.42
▸ CALCR P30988 2/20 0.42
▸ CALCRL Q16602 1/20 0.42

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
SCHEMBL29628789 0.90 KEAP1 (0.52) APLNRKEAP1NMUR2NMUR1
SCHEMBL30065432 0.87 APLNR (0.49) IL23RTFPIOPRM1OPRK1APLNR
Adamantane SCHEMBL5324119 0.84 RAMP3 (0.49) EPHA2OPRM1NMUR2NMUR1CXCR4
SCHEMBL30887071 0.84 CXCR4 (0.46) IL23REPHA2KEAP1CXCR4RAMP3
SCHEMBL29440833 0.83 OPRM1 (0.54) TFPIOPRM1OPRK1APLNRRAMP3
SCHEMBL5066529 0.82 EPHA2 (0.47) EPHA2TFPIOPRM1OPRK1CALCRL
SCHEMBL9293165 0.82 NMUR2 (0.51) KEAP1NMUR2NMUR1CXCR4RAMP3
SCHEMBL9293866 0.82 NMUR2 (0.50) EPHA2OPRM1NMUR2NMUR1CXCR4
SCHEMBL30887066 0.82 CXCR4 (0.45) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL30887061 0.81 CXCR4 (0.41) EPHA2OPRM1KEAP1NMUR2NMUR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228665-A1 METHODS FOR TREATING CONDITIONS ASSOCIATED WITH MASP-2 DEPENDENT COMPLEMENT ACTIVATION OMEROS CORPORATION 2024-07-11 — — US disclosed
US-20240076408-A1 METHODS FOR TREATING CONDITIONS ASSOCIATED WITH MASP-2 DEPENDENT COMPLEMENT ACTIVATION OMEROS CORPORATION 2024-03-07 — — US disclosed
US-20240067751-A1 DEVELOPMENT AND APPLICATION OF COMPLEMENT INHIBITOR KEYMED BIOSCIENCES CO.,LTD (CN) 2024-02-29 — — US disclosed
US-11884742-B2 Methods for treating conditions associated with MASP-2 dependent complement activation OMEROS CORPORATION (US) 2024-01-30 — — US disclosed
US-20230391889-A1 Methods for Treating Conditions Associated with MASP-2 Dependent Complement Activation OMEROS CORPORATION 2023-12-07 — — US disclosed
EP-4265641-A1 DEVELOPMENT AND APPLICATION OF COMPLEMENT INHIBITOR Keymed Biosciences Co.,Ltd. (CN) 2023-10-25 — — EP disclosed
WO-2022127834-A1 DEVELOPMENT AND APPLICATION OF COMPLEMENT INHIBITOR 康诺亚生物医药科技(成都)有限公司 2022-06-23 — — WO disclosed
CN-114634575-A Development and application of complement inhibitor 康诺亚生物医药科技(成都)有限公司 2022-06-17 — — CN disclosed
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