SCHEMBL30272491

SCHEMBL30272491

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.58
▸ ACE P12821 2/20 0.58
▸ ERAP2 Q6P179 1/20 0.54
▸ ECE1 P42892 3/20 0.54
▸ UTS2R Q9UKP6 1/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ ITGB2 P05107 1/20 0.53
▸ ICAM1 P05362 1/20 0.53
▸ ITGAL P20701 1/20 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
SCHEMBL30728822 0.96 GHSR (0.61) GHSRACEUTS2R
SCHEMBL31593270 0.95 GHSR (0.58) GHSRACEUTS2R
SCHEMBL30921655 0.94 GHSR (0.60) GHSRACEERAP2ECE1UTS2R
SCHEMBL29924977 0.94 GHSR (0.60) GHSRACEERAP2ECE1
SCHEMBL31468798 0.94 GHSR (0.60) GHSRACEERAP2ECE1
SCHEMBL29925186 0.94 GHSR (0.60) GHSRACEERAP2ECE1
SCHEMBL29961801 0.92 PRMT1 (0.58) GHSRACEERAP2UTS2R
SCHEMBL31742584 0.92 PRMT1 (0.59) GHSRACEERAP2UTS2R
SCHEMBL29472045 0.91 GHSR (0.64) GHSRACEECE1
SCHEMBL29619357 0.91 GHSR (0.64) GHSRACEECE1

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-11628202-B2 Methods of reducing the need for surgery in patients suffering from benign prostatic hyperplasia NYMOX CORPORATION (CA) 2023-04-18 — — US disclosed
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