SCHEMBL30489175

SCHEMBL30489175

OC(c1ccc(Cl)cc1)c1ncccc1Br

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.42
S1PR1 P21453 3/20 0.42
LMNA P02545 1/20 0.38
CYP19A1 P11511 2/20 0.38
FFAR2 O15552 2/20 0.37
HPGD P15428 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL18322302 1.00 S1PR3 (0.42) S1PR3S1PR1LMNACYP19A1FFAR2
SCHEMBL22776044 0.83 TRPM8 (0.38) LMNATRPM8
SCHEMBL21831285 0.80 S1PR3 (0.40) S1PR3S1PR1LMNACYP19A1FFAR2
SCHEMBL30489100 0.77 CYP19A1 (0.38) S1PR3S1PR1LMNACYP19A1FFAR2
SCHEMBL4707557 0.77 CYP19A1 (0.38) S1PR3S1PR1LMNACYP19A1FFAR2
SCHEMBL11711228 0.74 MEN1 (0.51) LMNAALDH1A1MAPT
SCHEMBL4182229 0.72 FAAH (0.43) LMNAALDH1A1MAPT
SCHEMBL30986731 0.72 TSHR (0.42) LMNAHPGDALDH1A1MAPT
SCHEMBL5377768 0.72 TSHR (0.42) LMNAHPGDALDH1A1MAPT
SCHEMBL30802067 0.72 TSHR (0.42) LMNAHPGDALDH1A1MAPT

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
CN-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN disclosed