SCHEMBL30973233

SCHEMBL30973233

Cc1ccc2c(c1)C(c1ccccc1)NCC2

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.67
GAA P10253 1/20 0.63
KDM1A O60341 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 1/20 0.55
DRD1 P21728 1/20 0.55
TRPM5 Q9NZQ8 1/20 0.52
GID4 Q8IVV7 2/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL2364359 1.00 PRCP (0.67) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL14677170 0.87 PRCP (0.67) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL19752317 0.85 PRCP (0.55) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL29498355 0.82 KDM1A (0.67) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL19399589 0.82 KDM1A (0.67) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL2340014 0.81 PRCP (0.67) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL2364169 0.80 GID4 (0.69) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL22728763 0.80 PRCP (1.00) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL7214001 0.80 PRCP (1.00) PRCPGAAKDM1AMEN1KMT2A
SCHEMBL30973183 0.80 PRCP (1.00) PRCPGAAKDM1AMEN1KMT2A

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-118146154-A Method for synergistic catalysis of selective oxidative dehydrogenation of tetrahydroisoquinoline 西安石油大学 2024-06-07 CN disclosed