SCHEMBL29619531

SCHEMBL29619531

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.58
▸ NPY1R P25929 6/20 0.58
▸ NPY2R P49146 4/20 0.58
▸ NPY5R Q15761 4/20 0.58
▸ OPRM1 P35372 7/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ GNRHR P30968 1/20 0.57
▸ MRGPRX2 Q96LB1 1/20 0.57
▸ ABCB11 O95342 1/20 0.56
▸ OPRK1 P41145 6/20 0.54
▸ NMUR2 Q9GZQ4 2/20 0.53
▸ NMUR1 Q9HB89 2/20 0.53

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
SCHEMBL29390426 0.92 OPRM1 (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL5499951 0.90 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL8019005 0.89 OPRM1 (0.60) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL30585577 0.89 OPRM1 (0.48) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL30422214 0.88 OPRD1 (0.55) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL30943512 0.88 NTSR2 (0.56) NPY4RNPY1RNPY2RNPY5ROPRM1
Hydrochloric Acid SCHEMBL11665303 0.87 NMUR2 (0.58) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL8808113 0.87 NMUR2 (0.70) OPRM1OPRK1NMUR2NMUR1
SCHEMBL8808129 0.87 NMUR2 (0.70) OPRM1OPRK1NMUR2NMUR1
SCHEMBL10588690 0.86 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5RNMUR2

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-4237012-A1 FAP-ACTIVATED SERUM EXTENDED HALF-LIFE THERAPEUTIC CONJUGATES Avacta Life Sciences Limited (GB) 2023-09-06 — — EP disclosed
WO-2022094262-A1 FAP-ACTIVATED SERUM EXTENDED HALF-LIFE THERAPEUTIC CONJUGATES AVACTA LIFE SCIENCES LIMITED (GB) 2022-05-05 — — WO disclosed
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