SCHEMBL29498355

SCHEMBL29498355

Cc1cc2c(cc1C)C(c1ccccc1)NCC2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.67
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
PRCP P42785 3/20 0.62
GAA P10253 1/20 0.60
DRD2 P14416 1/20 0.60
DRD1 P21728 1/20 0.60
GID4 Q8IVV7 1/20 0.48

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
SCHEMBL19399589 1.00 KDM1A (0.67) KDM1AMEN1KMT2APRCPGAA
SCHEMBL11812754 0.83 MEN1 (0.47) KDM1AMEN1KMT2APRCPGAA
SCHEMBL2364359 0.82 PRCP (0.67) KDM1AMEN1KMT2APRCPGAA
SCHEMBL30973233 0.82 PRCP (0.67) KDM1AMEN1KMT2APRCPGAA
SCHEMBL14677170 0.82 PRCP (0.67) KDM1AMEN1KMT2APRCPGAA
SCHEMBL24724254 0.80 KDM1A (0.67) KDM1AMEN1KMT2APRCPGAA
SCHEMBL19399588 0.80 KDM1A (1.00) KDM1APRCPDRD2DRD1
SCHEMBL7849270 0.80 KMT2A (1.00) KDM1AMEN1KMT2APRCPGAA
SCHEMBL14646680 0.80 KMT2A (1.00) KDM1AMEN1KMT2APRCPGAA
SCHEMBL13804033 0.80 KMT2A (1.00) KDM1AMEN1KMT2APRCPGAA

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-114195713-B Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 广东众源药业有限公司 2023-11-17 CN disclosed
CN-114195713-A Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 西安石油大学 2022-03-18 CN disclosed