SCHEMBL31353138

SCHEMBL31353138

COc1cc(N)ccc1N1CCC(C)(OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 2/20 0.49
ALDH1A1 P00352 7/20 0.41
ALDH1A3 P47895 1/20 0.41
DRD2 P14416 4/20 0.40
MAPT P10636 9/20 0.40
GAA P10253 7/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
PTK2B Q14289 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RAD52 P43351 2/20 0.38
POLB P06746 1/20 0.37
DRD3 P35462 3/20 0.36

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
SCHEMBL13723749 0.85 NR4A1 (0.49) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL15358685 0.84 NR4A1 (0.61) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL10036161 0.84 NR4A1 (0.50) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL23126654 0.81 DRD2 (0.48) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL1930522 0.81 ALDH1A1 (0.59) NR4A1ALDH1A1ALDH1A3MAPTGAA
SCHEMBL16305337 0.80 LGMN (0.47) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL15244255 0.80 NR4A1 (0.47) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL14320542 0.80 NR4A1 (0.47) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL15650361 0.80 NR4A1 (0.47) NR4A1ALDH1A1ALDH1A3DRD2MAPT
SCHEMBL17076804 0.80 NR4A1 (0.47) NR4A1ALDH1A1ALDH1A3DRD2MAPT

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
CN-121586713-A Quinoline derivatives and pharmaceutical compositions thereof for the treatment of diseases 百济神州(苏州)生物科技有限公司 2026-02-27 CN disclosed
WO-2025021217-A1 QUINOLINE DERIVATIVES AND PHARMARCEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASE BEIGENE SWITZERLAND GMBH (CH) 2025-01-30 WO disclosed