SCHEMBL10459591

SCHEMBL10459591

COCOCOC.Oc1cc2c(cc1Br)OCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 1/20 0.33
ERN1 O75460 2/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PRKCI P41743 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PTGS2 P35354 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
DRD3 P35462 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31

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
SCHEMBL10459594 0.86 DRD2 (0.36) HTR2ADRD2DRD1ERN1HTR2C
SCHEMBL10459577 0.84 ERN1 (0.41) HTR2ADRD2DRD1ERN1HTR2C
SCHEMBL10459614 0.80 DRD2 (0.32) HTR2ADRD2DRD1ERN1PRKCI
SCHEMBL10460363 0.78 BCHE (0.33) HTR2ADRD2DRD1ERN1
SCHEMBL10459592 0.77 HTR2A (0.34) HTR2ADRD2ERN1HTR2CHTR2B
SCHEMBL10459599 0.76 RAB9A (0.42) TAS1R3TAS1R1
SCHEMBL5722666 0.70 HTR2C (0.50) HTR2AERN1HTR2CHTR2B
SCHEMBL1701459 0.70 AHR (0.42) DRD2ERN1PRKCIDRD3HDAC3
SCHEMBL10459580 0.70 BCHE (0.38) HTR2ADRD2DRD1ERN1PRKCI
SCHEMBL5536555 0.68 ERN1 (0.41) HTR2ADRD2DRD1ERN1PRKCI

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-4966907-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS MERCK & CO., INC. (US) 1990-10-30 US disclosed