SCHEMBL23097091

SCHEMBL23097091

CCCC1CCc2ccccc2CNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
CD44 P16070 1/20 0.43
MAOB P27338 1/20 0.43
HTR1A P08908 1/20 0.40
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
GBA1 P04062 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL18325510 0.87 PNMT (0.46) PNMTCD44MAOBHTR1AMEN1
SCHEMBL9139949 0.78 HTR1A (0.53) MAOBHTR1ACYP19A1MTNR1AMTNR1B
SCHEMBL18325548 0.74 PNMT (0.50) PNMTCD44MAOBMEN1CYP3A4
SCHEMBL18325442 0.74 PNMT (0.50) PNMTCD44MAOBMEN1CYP3A4
SCHEMBL21505730 0.73 PNMT (0.46) PNMTHTR1AMTNR1AOPRM1OPRL1
SCHEMBL18322481 0.73 PNMT (0.41) PNMTCD44MAOBMEN1CYP3A4
Hydrochloric Acid SCHEMBL18706948 0.71 PNMT (0.40) PNMTCD44MAOBMEN1CYP3A4
SCHEMBL18325505 0.70 PNMT (0.46) PNMTCD44MAOBMEN1CYP3A4
SCHEMBL19158572 0.70 MEN1 (0.49) MEN1CYP3A4CYP2D6KMT2AHTR2C
SCHEMBL10616682 0.68 GBA1 (0.52) MAOBHTR1ACYP3A4CYP2D6CYP19A1

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-3189042-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed