SCHEMBL30366945

SCHEMBL30366945

CC(C)[C@H]1[C@@H]2CC[C@H]1c1cccc(N)c12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
GID4 Q8IVV7 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL30367212 1.00 PNMT (0.35) PNMTSIGMAR1GID4CYP3A4TSHR
SCHEMBL12023267 1.00 PNMT (0.35) PNMTSIGMAR1GID4CYP3A4TSHR
SCHEMBL220702 1.00 PNMT (0.35) PNMTSIGMAR1GID4CYP3A4TSHR
SCHEMBL15800482 1.00 PNMT (0.35) PNMTSIGMAR1GID4CYP3A4TSHR
SCHEMBL437168 1.00 PNMT (0.35) PNMTSIGMAR1GID4CYP3A4TSHR
SCHEMBL2496114 0.79 SIGMAR1 (0.38) PNMTSIGMAR1CYP3A4
SCHEMBL14335852 0.77 SIGMAR1 (0.42) SIGMAR1
SCHEMBL13071176 0.77 PNMT (0.38) PNMTGID4CYP3A4TSHRPIK3CA
SCHEMBL14701851 0.77 PNMT (0.38) PNMTGID4CYP3A4TSHRPIK3CA
SCHEMBL10140287 0.76 PNMT (0.33) PNMT

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
EP-3677572-B1 PRODUCTION METHOD FOR PYRAZOLE-4-CARBOXAMIDE DERIVATIVE JAPAN FINECHEM COMPANY INC (JP) 2023-06-07 EP disclosed