SCHEMBL29940169

SCHEMBL29940169

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.51
▸ RAMP3 O60896 7/20 0.48
▸ CALCR P30988 7/20 0.48
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ KISS1R Q969F8 3/20 0.45
▸ VIPR1 P32241 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ GLP1R P43220 1/20 0.44
▸ MUS81 Q96NY9 1/20 0.44

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
SCHEMBL31319515 0.91 RAMP3 (0.48) TFPIRAMP3CALCR
SCHEMBL30432641 0.90 TFPI (0.51) TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30596211 0.89 NPY4R (0.46) TFPIRAMP3CALCR
SCHEMBL31410830 0.88 GLP1R (0.50) TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30903462 0.88 NPY4R (0.46) RAMP3CALCROPRM1OPRD1OPRK1
SCHEMBL30069111 0.88 TFPI (0.59) TFPIRAMP3CALCRKISS1R
SCHEMBL30596157 0.87 KEAP1 (0.51) TFPIRAMP3CALCR
SCHEMBL29814926 0.87 TFPI (0.50) TFPIRAMP3CALCROPRM1OPRD1
SCHEMBL30282520 0.86 TFPI (0.55) TFPIVIPR1
SCHEMBL31031560 0.86 TFPI (0.49) TFPIRAMP3CALCRVIPR1ECE1

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
CN-112125953-B Polypeptide for resisting platelet aggregation 昆明医科大学第一附属医院 2022-09-16 — — CN claimed
CN-112125953-B Polypeptide for resisting platelet aggregation 昆明医科大学第一附属医院 2022-09-16 — — CN disclosed
CN-112125953-B Polypeptide for resisting platelet aggregation 昆明医科大学第一附属医院 2022-09-16 — — CN disclosed
Send feedback