SCHEMBL29530972

SCHEMBL29530972

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.45
▸ CALCR P30988 4/20 0.44
▸ ACE P12821 1/20 0.44
▸ CRHR1 P34998 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ OPRK1 P41145 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ AGTR2 P50052 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ CXCR4 P61073 1/20 0.41

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
SCHEMBL29530685 0.96 CALCR (0.45) C5AR1CALCRACECRHR1CRHR2
SCHEMBL29530818 0.94 CRHR1 (0.46) C5AR1CALCRACECRHR1CRHR2
SCHEMBL31573968 0.90 C5AR1 (0.50) C5AR1CALCRCRHR1CRHR2HCRTR1
SCHEMBL31721983 0.90 CALCR (0.50) C5AR1CALCRACECRHR1CRHR2
SCHEMBL29530459 0.89 CRHR1 (0.48) C5AR1CALCRCRHR1CRHR2MC4R
SCHEMBL31573972 0.88 C5AR1 (0.48) C5AR1CALCRCRHR1CRHR2ITGB3
SCHEMBL29530736 0.87 C5AR1 (0.50) C5AR1CALCRCRHR1CRHR2ITGB3
SCHEMBL29530561 0.86 SLC15A2 (0.39) C5AR1CALCRCRHR1CRHR2
SCHEMBL31688321 0.86 CALCR (0.51) C5AR1CALCRCRHR1CRHR2MC4R
SCHEMBL31683252 0.86 CALCR (0.51) C5AR1CALCRCRHR1CRHR2MC4R

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
EP-4039710-B1 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI SA (FR) 2026-03-25 — — EP disclosed
EP-4039710-A2 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI (FR) 2022-08-10 — — EP disclosed
CN-114230668-A anti-CD 3 antibodies, anti-CD 123 antibodies, and bispecific antibodies that specifically bind to CD3 and/or CD123 赛诺菲 2022-03-25 — — CN disclosed
CN-114230667-A anti-CD 3 antibodies, anti-CD 123 antibodies, and bispecific antibodies that specifically bind to CD3 and/or CD123 赛诺菲 2022-03-25 — — CN disclosed
Send feedback