SCHEMBL30918798

SCHEMBL30918798

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 7/20 0.39
▸ GRB2 P62993 1/20 0.39
▸ NTMT1 Q9BV86 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ ACE P12821 1/20 0.37
▸ NMUR2 Q9GZQ4 1/20 0.36
▸ NMUR1 Q9HB89 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OXTR P30559 2/20 0.36
▸ AVPR1A P37288 2/20 0.36
▸ AVPR1B P47901 2/20 0.36
▸ AVPR2 P30518 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36

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
SCHEMBL29408366 0.96 APLNR (0.41) APLNRNTMT1PLK1ACENMUR2
SCHEMBL30138485 0.90 CAPN1 (0.40) APLNRGRB2ACEOPRM1OPRK1
SCHEMBL30563220 0.89 NTMT1 (0.41) APLNRNTMT1PLK1NMUR2NMUR1
SCHEMBL30454418 0.89 NAA50 (0.45) APLNRPLK1ACENMUR2NMUR1
SCHEMBL30099619 0.87 MC4R (0.45) APLNRPLK1NMUR2NMUR1OPRM1
SCHEMBL30099574 0.87 NMUR2 (0.49) APLNRPLK1NMUR2NMUR1OPRM1
SCHEMBL7444428 0.86 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL4190053 0.86 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL10340262 0.86 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1
SCHEMBL4190057 0.86 ACE (0.42) APLNRNTMT1ACEOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903240-A Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-04-19 — — CN claimed
CN-117903240-B Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-12-24 — — CN disclosed
CN-117903240-A Logic gate-type polypeptide with tumor specificity, probe, preparation method and application 甘肃天际生物科技有限公司 2024-04-19 — — CN disclosed
Send feedback