SCHEMBL31733652

SCHEMBL31733652

COc1ccc([C@@H](C)N)c(OCC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HTR2A P28223 1/20 0.40
FFAR1 O14842 1/20 0.38
RXRA P19793 1/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 1/20 0.38
P2RX3 P56373 1/20 0.38

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
Hydrochloric Acid SCHEMBL31733434 0.99 TDP1 (0.44) PARP15PARP10TDP1CYP2D6ADRA2A
Hydrochloric Acid SCHEMBL31733389 0.99 TDP1 (0.44) PARP15PARP10TDP1CYP2D6ADRA2A
Hydrochloric Acid SCHEMBL31733820 0.93 PARP15 (0.48) PARP15PARP10TDP1CYP2D6ADRA2A
Hydrochloric Acid SCHEMBL31733290 0.85 MEN1 (0.40) PARP15PARP10TDP1CYP2D6ADRA2A
SCHEMBL28336276 0.80 PDE4B (0.46) PARP15PARP10PDE4APDE4BPDE4C
SCHEMBL4172951 0.78 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL5192232 0.78 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL4188000 0.78 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL31733837 0.78 ADRA2A (0.38) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL31733804 0.77 CYP2D6 (0.44) CYP2D6ADRA2AADRA1AMEN1MAPK1

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-2025237891-A1 QUINOLINE-2-CARBOXAMIDE DERIVATIVES AS RAD51 INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-11-20 WO disclosed