SCHEMBL11228026

SCHEMBL11228026

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.56
▸ CTSL P07711 2/20 0.55
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ MAPT P10636 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ REN P00797 4/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CCKBR P32239 5/20 0.51
▸ CCKAR P32238 1/20 0.49

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
SCHEMBL11228028 1.00 TACR1 (0.56) TACR1CTSLCTSSCTSKMAPT
SCHEMBL11221443 0.88 TACR1 (0.65) TACR1CTSLCTSSCTSKMAPT
SCHEMBL11221428 0.88 TACR1 (0.65) TACR1CTSLCTSSCTSKMAPT
SCHEMBL30643024 0.87 CTSL (0.65) TACR1CTSLCTSSCTSKMAPT
SCHEMBL29419169 0.86 CTSL (0.67) TACR1CTSLCTSSCTSKMAPT
SCHEMBL30678210 0.86 TACR1 (0.72) TACR1CTSLCTSSCTSKMAPT
SCHEMBL27871522 0.86 TACR1 (0.72) TACR1CTSLCTSSCTSKMAPT
SCHEMBL30678217 0.86 TACR1 (0.72) TACR1CTSLCTSSCTSKMAPT
SCHEMBL20829903 0.86 TACR1 (0.72) TACR1CTSLCTSSCTSKMAPT
SCHEMBL9331072 0.85 REN (0.54) CTSKREN

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-4356118-A Tryptophan derivatives G. D. SEARLE & CO. (US) 1982-10-26 — — US disclosed
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