SCHEMBL11222690

SCHEMBL11222690

OC1c2cc(Br)ccc2OCC1n1ccnc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HCRTR2 O43614 1/20 0.35
ADRA2A P08913 1/20 0.34
CYP19A1 P11511 5/20 0.33
MALT1 Q9UDY8 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
SCHEMBL11234808 0.85 HCRTR2 (0.38) DRD2DRD3HCRTR2ADRA2ACYP19A1
SCHEMBL11233338 0.85 HCRTR2 (0.38) DRD2DRD3HCRTR2ADRA2ACYP19A1
SCHEMBL10895156 0.85 HCRTR2 (0.38) DRD2DRD3HCRTR2ADRA2ACYP19A1
SCHEMBL11234799 0.85 HCRTR2 (0.38) DRD2DRD3HCRTR2ADRA2ACYP19A1
SCHEMBL11233337 0.85 HCRTR2 (0.38) DRD2DRD3HCRTR2ADRA2ACYP19A1
SCHEMBL11229640 0.82 CYP19A1 (0.38) ADRA2ACYP19A1
SCHEMBL11227623 0.82 CYP19A1 (0.45) DRD2DRD3HCRTR2CYP19A1
SCHEMBL11227708 0.82 CYP19A1 (0.33) HCRTR2CYP19A1
SCHEMBL11236680 0.82 CYP19A1 (0.44) DRD2DRD3CYP19A1
SCHEMBL11236303 0.81 CYP19A1 (0.33) CYP19A1

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
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 claimed
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