SCHEMBL29614906

SCHEMBL29614906

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.58
▸ IL23R Q5VWK5 1/20 0.57
▸ KISS1R Q969F8 4/20 0.55
▸ CXCR4 P61073 2/20 0.54
▸ CALCA P06881 2/20 0.53
▸ DPP3 Q9NY33 3/20 0.52
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ CALCRL Q16602 1/20 0.50
▸ MC4R P32245 1/20 0.50
▸ MC5R P33032 1/20 0.50
▸ MC3R P41968 1/20 0.50
▸ MC1R Q01726 1/20 0.50
▸ GLP1R P43220 1/20 0.50
▸ GCGR P47871 1/20 0.50
▸ GIPR P48546 1/20 0.50

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
SCHEMBL30565410 0.87 C5AR1 (0.56) C5AR1IL23RKISS1RCXCR4DPP3
SCHEMBL31593275 0.86 C5AR1 (0.67) C5AR1IL23RCXCR4CALCAGLP1R
SCHEMBL30571131 0.86 C5AR1 (0.59) C5AR1KISS1RDPP3
SCHEMBL31612389 0.86 C5AR1 (0.55) C5AR1KISS1RCXCR4DPP3
SCHEMBL30205377 0.86 CXCR4 (0.61) C5AR1IL23RKISS1RCXCR4
SCHEMBL29973644 0.86 KISS1R (0.66) C5AR1IL23RKISS1R
SCHEMBL31468796 0.86 KISS1R (0.64) C5AR1IL23RKISS1R
SCHEMBL30974397 0.86 CXCR4 (0.59) C5AR1IL23RCXCR4CALCAGLP1R
SCHEMBL31410855 0.85 KISS1R (0.65) C5AR1IL23RKISS1RMC4RMC5R
SCHEMBL29725113 0.85 IL23R (0.62) C5AR1IL23RKISS1RCXCR4MC4R

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
EP-3550016-B1 COMPOSITION FOR SACCHARIFICATION OF CELLULOSIC MATERIAL NOVOZYMES INC (US) 2022-05-04 — — EP disclosed
Send feedback