SCHEMBL30533150

SCHEMBL30533150

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.64
▸ ERAP2 Q6P179 1/20 0.55
▸ KISS1R Q969F8 15/20 0.54
▸ ECE1 P42892 1/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ MUS81 Q96NY9 1/20 0.53
▸ PTH1R Q03431 1/20 0.52
▸ CTSB P07858 1/20 0.51
▸ CTSK P43235 1/20 0.51

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
SCHEMBL30093029 0.95 EDNRA (0.57) EDNRAERAP2KISS1RCTSBCTSK
SCHEMBL30130582 0.95 EDNRA (0.57) EDNRAERAP2KISS1RCTSBCTSK
SCHEMBL30130573 0.93 EDNRA (0.59) EDNRAERAP2KISS1RCTSBCTSK
SCHEMBL31305350 0.93 EDNRA (0.56) EDNRAERAP2KISS1RPTH1R
SCHEMBL30130547 0.93 KISS1R (0.57) EDNRAERAP2KISS1RECE1GLP1R
SCHEMBL30130555 0.93 KISS1R (0.57) EDNRAERAP2KISS1RECE1GLP1R
SCHEMBL30130549 0.92 EDNRA (0.59) EDNRAERAP2KISS1RECE1GLP1R
SCHEMBL30130580 0.92 EDNRA (0.59) EDNRAERAP2KISS1RECE1GLP1R
SCHEMBL30092943 0.92 KISS1R (0.56) EDNRAERAP2KISS1RECE1GLP1R
SCHEMBL30093082 0.92 EDNRA (0.60) EDNRAERAP2KISS1RECE1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731106-A Synthetic hexapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-09-12 — — CN claimed
CN-116731106-A Synthetic hexapeptide, composition and application thereof 深圳市维琪科技股份有限公司 2023-09-12 — — CN disclosed
Send feedback