SCHEMBL30239684

SCHEMBL30239684

N[C@@H](Cc1cccc(F)c1)CN1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.44
DPP7 Q9UHL4 2/20 0.44
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
SLC1A1 P43005 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
FAP Q12884 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NAMPT P43490 1/20 0.39
DRD2 P14416 1/20 0.38
GNRHR P30968 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 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
SCHEMBL4728237 0.84 SLC6A4 (0.51) DPP4DPP7SLC6A3SLC6A4DPP8
SCHEMBL4730009 0.83 EPHX1 (0.55) SLC6A3SLC6A4MEN1KMT2ATAAR1
SCHEMBL8267905 0.82 ALDH1A1 (0.58) DPP4DPP7SLC6A3SLC6A4SLC1A1
SCHEMBL4776980 0.78 KMT2A (0.49) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29559650 0.73 UBE2N (0.47) DPP4DPP7SLC1A1ALDH1A1DPP8
SCHEMBL676622 0.73 UBE2N (0.47) DPP4DPP7SLC1A1ALDH1A1DPP8
SCHEMBL20912948 0.73 UBE2N (0.47) DPP4DPP7SLC1A1ALDH1A1DPP8
SCHEMBL676621 0.73 UBE2N (0.47) DPP4DPP7SLC1A1ALDH1A1DPP8
SCHEMBL7458228 0.73 TAAR1 (0.55) DPP4DPP7SLC1A1TAAR1IDO1
Ammonia Solution, Strong SCHEMBL1530005 0.72 UBE2N (0.46) DPP4DPP7SLC1A1ALDH1A1DPP8

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-111620860-B Preparation method of furosemide 济南健丰化工有限公司 2023-02-03 CN disclosed