SCHEMBL30416193

SCHEMBL30416193

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 6/20 0.64
▸ ERAP2 Q6P179 6/20 0.63
▸ GHSR Q92847 3/20 0.60
▸ ACE P12821 2/20 0.60
▸ ERAP1 Q9NZ08 4/20 0.58
▸ IL1RN P18510 4/20 0.58
▸ ANPEP P15144 1/20 0.57

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
SCHEMBL31004373 0.96 ERAP2 (0.61) ECE1ERAP2GHSRACEERAP1
SCHEMBL29819949 0.96 GHSR (0.62) ECE1ERAP2GHSRACEERAP1
SCHEMBL30788017 0.95 ERAP2 (0.64) ECE1ERAP2GHSRACEERAP1
SCHEMBL29531497 0.93 ERAP2 (0.61) ECE1ERAP2GHSRACEERAP1
SCHEMBL31004384 0.93 ERAP2 (0.61) ECE1ERAP2GHSRACEERAP1
SCHEMBL30788022 0.92 ERAP2 (0.59) ECE1ERAP2GHSRERAP1IL1RN
SCHEMBL31232500 0.92 ERAP2 (0.63) ECE1ERAP2GHSRACEERAP1
SCHEMBL29519671 0.92 ECE1 (0.65) ECE1ERAP2ACEERAP1IL1RN
SCHEMBL30921655 0.92 GHSR (0.60) ECE1ERAP2GHSRACE
SCHEMBL31468798 0.92 GHSR (0.60) ECE1ERAP2GHSRACEERAP1

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
EP-4168116-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE Biohaven Therapeutics Ltd. (US) 2023-04-26 — — EP disclosed
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