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SCHEMBL8363698

SCHEMBL8363698

CC(C)CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)C)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.56
▸ BACE2 Q9Y5Z0 4/20 0.56
▸ VIPR1 P32241 2/20 0.55
▸ KISS1R Q969F8 3/20 0.55
▸ TFPI P10646 1/20 0.54
▸ VIPR2 P41587 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
SCHEMBL8742387 0.90 BACE1 (0.60) BACE1BACE2KISS1RTFPI
SCHEMBL8742407 0.90 BACE1 (0.60) BACE1BACE2KISS1RTFPI
SCHEMBL31343369 0.90 BACE1 (0.61) BACE1BACE2VIPR1KISS1RTFPI
SCHEMBL31672193 0.90 BACE1 (0.61) BACE1BACE2VIPR1TFPI
SCHEMBL29893268 0.88 TFPI (0.60) BACE1BACE2VIPR1TFPIVIPR2
SCHEMBL30974029 0.88 KISS1R (0.52) BACE1BACE2KISS1RTFPI
SCHEMBL29453341 0.88 VIPR1 (0.72) VIPR1KISS1RTFPIVIPR2
SCHEMBL31047374 0.87 TFPI (0.66) BACE1BACE2VIPR1KISS1RTFPI
SCHEMBL29616877 0.87 BACE1 (0.58) BACE1BACE2TFPI
SCHEMBL30571157 0.87 TFPI (0.60) VIPR1KISS1RTFPIVIPR2

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
WO-2002014352-A9 THERAPEUTIC COMPOUNDS FOR OVARIAN CANCER GENZYME CORP (US) 2004-03-04 — — WO disclosed
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