SCHEMBL29939729

SCHEMBL29939729

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.55
▸ IL23R Q5VWK5 2/20 0.47
▸ VIPR2 P41587 5/20 0.46
▸ GRPR P30550 1/20 0.46
▸ VIPR1 P32241 4/20 0.46
▸ ECE1 P42892 1/20 0.45
▸ GLP1R P43220 1/20 0.45
▸ MUS81 Q96NY9 1/20 0.45

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
SCHEMBL29455880 0.96 TFPI (0.53) TFPIRXFP1IL23R
SCHEMBL31182934 0.95 RXFP1 (0.58) TFPIRXFP1VIPR2VIPR1ECE1
SCHEMBL30844336 0.93 RXFP1 (0.54) TFPIRXFP1IL23RVIPR2VIPR1
SCHEMBL28081230 0.91 TFPI (0.54) TFPIRXFP1VIPR2VIPR1ECE1
SCHEMBL29435830 0.91 TFPI (0.56) TFPIRXFP1VIPR2
SCHEMBL28518994 0.90 TFPI (0.54) TFPIRXFP1VIPR2VIPR1
SCHEMBL28081205 0.90 TFPI (0.54) TFPIRXFP1VIPR2VIPR1
SCHEMBL28081112 0.90 TFPI (0.54) TFPIRXFP1VIPR2VIPR1
SCHEMBL30140825 0.89 TFPI (0.52) TFPIRXFP1VIPR2VIPR1
SCHEMBL29736280 0.89 IL23R (0.46) TFPIRXFP1IL23RVIPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066254-A Human anti-inflammatory peptides for inhalation treatment of inflammatory lung diseases 阿德维塔生命科学有限责任公司 2022-09-16 — — CN disclosed
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