Sugi Predict

Sugi Predict / Compounds / SCHEMBL29834951

SCHEMBL29834951

SCHEMBL29834951

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.62
▸ VIPR2 P41587 3/20 0.58
▸ KISS1R Q969F8 3/20 0.57
▸ NPY4R P50391 3/20 0.57
▸ NPY1R P25929 2/20 0.57
▸ NPY2R P49146 2/20 0.57
▸ NPY5R Q15761 2/20 0.57
▸ KEAP1 Q14145 1/20 0.57
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ VIPR1 P32241 2/20 0.56
▸ IL23R Q5VWK5 1/20 0.56

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
SCHEMBL29834939 1.00 TFPI (0.62) TFPIVIPR2KISS1RNPY4RNPY1R
SCHEMBL29406011 0.90 NPY4R (0.64) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30385132 0.88 TFPI (0.63) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29548324 0.88 TFPI (0.63) TFPIKISS1RNPY4RNPY1RNPY2R
Dynorphin B SCHEMBL30415641 0.88 TFPI (0.65) TFPIVIPR2KEAP1OPRM1OPRD1
SCHEMBL29834946 0.88 NPY4R (0.65) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29834938 0.88 NPY4R (0.65) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29453357 0.88 VIPR2 (0.70) TFPIVIPR2VIPR1
SCHEMBL29463760 0.87 NPY4R (0.63) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL29412269 0.87 NPY4R (0.60) TFPINPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109119-A Near-infrared fluorescent probe, preparation method and application thereof 南京微纳视界医疗科技有限公司 2022-09-27 — — CN claimed
CN-115109585-A Preparation method of near-infrared fluorescent probe and near-infrared fluorescent probe 南京微纳视界医疗科技有限公司 2022-09-27 — — CN claimed
CN-115109119-A Near-infrared fluorescent probe, preparation method and application thereof 南京微纳视界医疗科技有限公司 2022-09-27 — — CN disclosed
CN-115109119-A Near-infrared fluorescent probe, preparation method and application thereof 南京微纳视界医疗科技有限公司 2022-09-27 — — CN disclosed
CN-115109585-A Preparation method of near-infrared fluorescent probe and near-infrared fluorescent probe 南京微纳视界医疗科技有限公司 2022-09-27 — — CN disclosed
CN-115109585-A Preparation method of near-infrared fluorescent probe and near-infrared fluorescent probe 南京微纳视界医疗科技有限公司 2022-09-27 — — CN disclosed
Send feedback