SCHEMBL31444529

SCHEMBL31444529

Clc1ccc(C2COCCN2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ GAA P10253 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAP3K14 Q99558 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2A13 Q16696 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL19142373 0.84 SLC6A4 (0.42) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL20319860 0.80 TAAR1 (0.38) HTR2AHTR2CHTR2BPRKACAPRKACG
Hydrochloric Acid SCHEMBL31444535 0.79 HTR2A (0.39) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL21723230 0.77 PRKACA (0.52) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL7353494 0.77 PRKACA (0.52) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL22589151 0.76 CHRNA7 (0.47) PRKACAPRKACGPRKACBALDH1A1SLC6A2
SCHEMBL2944138 0.76 CHRNA7 (0.47) PRKACAPRKACGPRKACBALDH1A1SLC6A2
SCHEMBL21491362 0.76 CDC7 (0.33) PRKACAPRKACGPRKACBSLC6A2SLC6A4
SCHEMBL31472302 0.76 CDC7 (0.33) PRKACAPRKACGPRKACBSLC6A2SLC6A4
SCHEMBL21491275 0.76 ESR1 (0.38) —

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
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