SCHEMBL8311892

SCHEMBL8311892

C[C@H](NC(=O)C1CCNCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
TSHR P16473 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
PMP22 Q01453 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
POLB P06746 1/20 0.44
GNAI3 P08754 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
SCHEMBL13113457 1.00 GABRP (0.47) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL3919225 1.00 GABRP (0.47) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL844944 0.86 RECQL (0.44) POLBRAB9ARECQLSMN1; SMN2MEN1
SCHEMBL1952554 0.86 RECQL (0.44) POLBRAB9ARECQLSMN1; SMN2MEN1
SCHEMBL845078 0.86 RECQL (0.44) POLBRAB9ARECQLSMN1; SMN2MEN1
SCHEMBL4688805 0.82 CHRNB2 (0.55) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL23441772 0.82 RECQL (0.54) TSHRPOLBRECQLSMN1; SMN2ALDH1A1
SCHEMBL10482801 0.82 RECQL (0.54) TSHRPOLBRECQLSMN1; SMN2ALDH1A1
SCHEMBL5901288 0.82 RECQL (0.50) POLBRECQLSMN1; SMN2MEN1KMT2A
SCHEMBL6288389 0.82 RECQL (0.50) POLBRECQLSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043076-B1 CYCLIC PEPTIDE HAVING CTLA-4 INHIBITORY ACTIVITY AND USE THEREOF GENEFRONTIER CORP (JP) 2024-06-26 EP disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed