SCHEMBL23540253

SCHEMBL23540253

O=C(OCc1ccccc1)N1CCNCC12CCNC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.44
HTR2C P28335 2/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
OPRM1 P35372 1/20 0.41
AVPR1A P37288 1/20 0.41
MAPK1 P28482 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL12816594 0.84 OPRK1 (0.45) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL1445254 0.83 OPRK1 (0.45) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL7932045 0.82 OPRK1 (0.46) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL24338284 0.82 GLA (0.41) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL22213479 0.81 OPRK1 (0.45) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL1226725 0.81 SMN1; SMN2 (0.44) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL1227266 0.81 SMN1; SMN2 (0.44) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL1226722 0.81 SMN1; SMN2 (0.44) OPRK1HTR2CHTR1AADORA3SLC6A3
SCHEMBL27254036 0.81 HTR2C (0.47) HTR2CNPC1RAB9ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL26983226 0.80 HTR2C (0.46) HTR2CNPC1RAB9ASMN1; SMN2GAA

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-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 EP disclosed
WO-2022066805-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-03-31 WO disclosed
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed