Sugi Predict

Sugi Predict / Compounds / SCHEMBL31256969

SCHEMBL31256969

SCHEMBL31256969

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 13/20 0.63
▸ OPRD1 P41143 3/20 0.61
▸ OPRM1 P35372 2/20 0.61
▸ CCKAR P32238 1/20 0.58
▸ CCKBR P32239 1/20 0.58
▸ NPBWR1 P48145 2/20 0.57
▸ IL1RN P18510 1/20 0.56
▸ ERAP2 Q6P179 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
SCHEMBL29511101 0.95 KISS1R (0.58) KISS1ROPRD1OPRM1IL1RNERAP2
SCHEMBL31257039 0.93 IL1RN (0.65) KISS1RIL1RNERAP2
SCHEMBL29510997 0.93 NPY1R (0.58) KISS1ROPRD1OPRM1IL1RNERAP2
SCHEMBL30029606 0.92 KISS1R (0.59) KISS1ROPRD1OPRM1CCKARCCKBR
SCHEMBL29476584 0.91 KISS1R (0.60) KISS1ROPRD1OPRM1CCKARCCKBR
SCHEMBL30264831 0.91 KISS1R (0.59) KISS1ROPRD1OPRM1CCKARCCKBR
SCHEMBL6481548 0.91 NPY4R (0.63) KISS1ROPRD1OPRM1IL1RNERAP2
SCHEMBL6481539 0.91 NPY4R (0.63) KISS1ROPRD1OPRM1IL1RNERAP2
SCHEMBL29511119 0.91 MC4R (0.54) KISS1R
SCHEMBL29476649 0.91 MC4R (0.54) KISS1R

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
US-20240352445-A1 HUMANIZATION, AFFINITY MATURATION, AND OPTIMIZATION METHODS FOR PROTEINS AND ANTIBODIES ABWIZ BIO, INC. 2024-10-24 — — US disclosed
Send feedback