SCHEMBL29472046

SCHEMBL29472046

N=C(N)NCCCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ LTA4H P09960 1/20 0.53
▸ MC4R P32245 2/20 0.52
▸ ACE P12821 1/20 0.52
▸ KISS1R Q969F8 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MME P08473 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
SCHEMBL29511119 0.97 MC4R (0.54) LTA4HMC4RACEKISS1RKMT2A
SCHEMBL29476649 0.97 MC4R (0.54) LTA4HMC4RACEKISS1RKMT2A
SCHEMBL29510997 0.95 NPY1R (0.58) KISS1R
SCHEMBL31249537 0.95 MC4R (0.55) GHSRMC4RKISS1R
SCHEMBL31249515 0.95 MC4R (0.55) GHSRMC4RKISS1R
SCHEMBL31249518 0.95 MC4R (0.55) GHSRMC4RKISS1R
SCHEMBL30919241 0.94 KISS1R (0.55) GHSRMC4RKISS1RKMT2A
SCHEMBL30919236 0.94 KISS1R (0.55) GHSRMC4RKISS1RKMT2A
SCHEMBL30805681 0.94 KISS1R (0.55) GHSRLTA4HMC4RKISS1RKMT2A
SCHEMBL29666231 0.93 GHSR (0.55) GHSRLTA4HACEKMT2AMME

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
EP-3581583-B1 PHARMACEUTICAL COMPOUND VALLAURIX PTE LTD (SG) 2022-02-23 — — EP claimed
US-11286288-B2 Pharmaceutical compound VALLAURIX PTE. LTD. (SG) 2022-03-29 — — US disclosed
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