SCHEMBL14090285

SCHEMBL14090285

NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.53
▸ KMT2A Q03164 2/20 0.49
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ CASP3 P42574 1/20 0.45

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
SCHEMBL14596251 0.93 TLR2 (0.61) TLR2KMT2AMDM4TP53
SCHEMBL14110931 0.93 TLR2 (0.61) TLR2KMT2AMDM4TP53
SCHEMBL3576902 0.89 KMT2A (0.54) TLR2KMT2AMDM4TP53PTPN1
SCHEMBL12156602 0.87 PTPN1 (0.54) TLR2KMT2APTPN1CASP3
SCHEMBL22854294 0.86 TLR2 (0.54) TLR2KMT2AMDM4TP53PTPN1
SCHEMBL2925858 0.85 CTSK (0.48) TLR2KMT2AMDM4TP53
SCHEMBL16095190 0.85 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29398313 0.85 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29398093 0.85 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29541007 0.85 MDM4 (0.58) TLR2KMT2AMDM4TP53CASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 — — US disclosed
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 — — US disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 — — US disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 — — US disclosed
Send feedback