SCHEMBL11236680

SCHEMBL11236680

OC1c2ccccc2OCC1n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CYP3A4 P08684 1/20 0.36
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR1A P08908 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
SCHEMBL11229640 0.84 CYP19A1 (0.38) CYP19A1LTB4RLTB4R2HTR1A
SCHEMBL11232690 0.82 MAP3K14 (0.42) CYP19A1LTB4RLTB4R2
SCHEMBL11234808 0.82 HCRTR2 (0.38) CYP19A1DRD2DRD3
SCHEMBL10895156 0.82 HCRTR2 (0.38) CYP19A1DRD2DRD3
SCHEMBL11233337 0.82 HCRTR2 (0.38) CYP19A1DRD2DRD3
SCHEMBL11234799 0.82 HCRTR2 (0.38) CYP19A1DRD2DRD3
SCHEMBL11233338 0.82 HCRTR2 (0.38) CYP19A1DRD2DRD3
SCHEMBL11222690 0.82 DRD2 (0.36) CYP19A1DRD2DRD3
SCHEMBL28065635 0.80 CYP19A1 (0.49) CYP19A1LTB4RLTB4R2DRD2DRD3
SCHEMBL11227708 0.79 CYP19A1 (0.33) CYP19A1LTB4RLTB4R2

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