SCHEMBL22137305

SCHEMBL22137305

CCC(N)CCc1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.41
▸ S1PR2 O95136 7/20 0.41
▸ S1PR3 Q99500 7/20 0.41
▸ S1PR4 O95977 4/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 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
SCHEMBL10563294 0.80 ESR1 (0.50) S1PR1S1PR2S1PR3S1PR4SLC6A4
SCHEMBL22129795 0.80 TAAR1 (0.48) S1PR1S1PR2S1PR3S1PR4
SCHEMBL2136637 0.80 SLC6A4 (0.52) S1PR1S1PR2S1PR3S1PR4SLC6A4
SCHEMBL256025 0.79 SLC6A4 (0.60) SLC6A4CYP3A4IDO1CYP1A2CYP2D6
SCHEMBL1148969 0.79 ANPEP (0.48) S1PR1S1PR2S1PR3SLC6A4
SCHEMBL4323451 0.79 ANPEP (0.48) S1PR1S1PR2S1PR3SLC6A4
SCHEMBL13452965 0.79 ANPEP (0.48) S1PR1S1PR2S1PR3SLC6A4
Hydrochloric Acid SCHEMBL7614131 0.78 ANPEP (0.47) S1PR1S1PR2S1PR3SLC6A4IDO1
SCHEMBL21058270 0.77 MMP12 (0.47) S1PR1S1PR2S1PR3IDO1
SCHEMBL1678495 0.76 LOXL2 (0.48) S1PR1S1PR2S1PR3S1PR4

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
WO-2021125412-A1 DEFECT-SUPPRESSED METAL HALIDE PEROVSKITE LUMINESCENT MATERIAL, AND LIGHT-EMITTING DIODE COMPRISING SAME 서울대학교산학협력단 2021-06-24 — — WO disclosed
WO-2020130592-A1 METAL HALIDE PEROVSKITE LIGHT EMITTING DEVICE AND METHOD FOR MANUFACTURING SAME 서울대학교산학협력단 2020-06-25 — — WO disclosed
Send feedback