SCHEMBL11233338

SCHEMBL11233338

O[C@@H]1c2cc(Cl)ccc2OC[C@@H]1n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
IDO1 P14902 2/20 0.35
ADRA2A P08913 1/20 0.34
CHEK1 O14757 1/20 0.34
TERT O14746 1/20 0.34
CYP19A1 P11511 4/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAP3K14 Q99558 1/20 0.33
LMNA P02545 1/20 0.33
F10 P00742 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL11234799 1.00 HCRTR2 (0.38) HCRTR2DRD2DRD3IDO1ADRA2A
SCHEMBL11233337 1.00 HCRTR2 (0.38) HCRTR2DRD2DRD3IDO1ADRA2A
SCHEMBL10895156 1.00 HCRTR2 (0.38) HCRTR2DRD2DRD3IDO1ADRA2A
SCHEMBL11234808 1.00 HCRTR2 (0.38) HCRTR2DRD2DRD3IDO1ADRA2A
SCHEMBL11232690 0.90 MAP3K14 (0.42) IDO1CYP19A1FNTAFNTBMAP3K14
SCHEMBL11222690 0.85 DRD2 (0.36) HCRTR2DRD2DRD3ADRA2ACYP19A1
SCHEMBL11227708 0.82 CYP19A1 (0.33) HCRTR2CYP19A1FNTAFNTBLMNA
SCHEMBL11229640 0.82 CYP19A1 (0.38) ADRA2ACYP19A1
SCHEMBL11227623 0.82 CYP19A1 (0.45) HCRTR2DRD2DRD3CYP19A1
SCHEMBL11236680 0.82 CYP19A1 (0.44) DRD2DRD3CYP19A1

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
US-4342775-A FOR USE AS ANTICOAGULANT AND REDUCING SERUM SHOLESTEROL OR SERUM TRIGLYCERIDES FARMITALIA CARLO ERBA S.P.A. (IT) 1982-08-03 US disclosed