SCHEMBL30001372

SCHEMBL30001372

O=C(Nc1ccnc(C[C@H]2COCCN2C(=O)O)c1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
PRKDC P78527 1/20 0.43
MGLL Q99685 1/20 0.42
ROCK2 O75116 1/20 0.42
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
CYP3A4 P08684 4/20 0.41
LRRK2 Q5S007 2/20 0.41
LMNA P02545 1/20 0.40
F10 P00742 1/20 0.40
KDM1A O60341 3/20 0.40
MAOA P21397 3/20 0.40

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
SCHEMBL29187041 0.89 POLB (0.41) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29187044 0.89 POLB (0.41) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3075863 0.76 MEN1 (0.47) SMN1; SMN2ALDH1A1PRKDCLMNA
SCHEMBL29187129 0.76 POLB (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14645771 0.73 DPP4 (0.57) HCRTR1HCRTR2CYP3A4
SCHEMBL14646637 0.73 DPP4 (0.57) HCRTR1HCRTR2CYP3A4
SCHEMBL14646652 0.71 MEN1 (0.58) NPC1RAB9ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL13139726 0.70 POLB (0.68) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30001499 0.69 POLB (0.51) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29187114 0.69 POLB (0.66) POLBNPC1RAB9ASMN1; SMN2ALDH1A1

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-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
WO-2022256702-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed