SCHEMBL9387748

SCHEMBL9387748

O=[C][C@@H](CCCc1ccccc1)NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PADI4 Q9UM07 1/20 0.48
▸ PADI2 Q9Y2J8 1/20 0.48
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRA1 P14867 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
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47
▸ GABRG3 Q99928 1/20 0.47

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
SCHEMBL9389661 0.87 MAPK14 (0.45) POLBNPC1RAB9APADI4PADI2
SCHEMBL17117417 0.77 POLB (0.77) POLBNPC1RAB9AGABRPGABRD
SCHEMBL9383975 0.76 POLB (0.40) POLBNPC1RAB9A
SCHEMBL9386845 0.75 F2 (0.44) —
SCHEMBL9390087 0.75 DRD2 (0.54) CCKBRALDH1A1
SCHEMBL5992310 0.74 KMT2A (0.53) NPC1RAB9AALDH1A1KMT2A
SCHEMBL9385513 0.73 KMT2A (0.51) NPC1RAB9AKMT2A
SCHEMBL9388771 0.73 PADI4 (0.49) NPC1RAB9APADI4PADI2MAPT
SCHEMBL9388240 0.72 SMN1; SMN2 (0.50) POLBNPC1RAB9AALDH1A1KMT2A
SCHEMBL9385748 0.72 NPC1 (0.53) POLBNPC1RAB9AKMT2A

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-1994007815-A2 SMALL PEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1994-04-14 — — WO claimed
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