SCHEMBL3655086

SCHEMBL3655086

Oc1ccc(C2NCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KDM1A O60341 3/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
ESR2 Q92731 5/20 0.39
CHRNA7 P36544 1/20 0.39
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALOX15B O15296 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1023795 0.89 ALDH1A1 (0.59) ALDH1A1DRD2DRD3CHRNA7SLC6A2
SCHEMBL10795916 0.80 CHRNA7 (0.59) ALDH1A1KDM1ACHRNA7SLC6A2ADRA1A
SCHEMBL5830164 0.80 ALDH1A1 (0.51) ALDH1A1KDM1ACHRNA7SLC6A2ADRA1A
SCHEMBL27726403 0.80 ALDH1A1 (0.56) ALDH1A1KDM1ACHRNA7SLC6A2ADRA1A
SCHEMBL27517210 0.80 ALDH1A1 (0.51) ALDH1A1CHRNA7SLC6A2ADRA1AHTR2B
SCHEMBL2257666 0.79 SLC6A2 (0.58) ALDH1A1CHRNA7SLC6A2ADRA1AHTR2B
SCHEMBL460150 0.79 SLC6A2 (0.58) ALDH1A1CHRNA7SLC6A2ADRA1AHTR2B
SCHEMBL8117490 0.76 ALDH1A1 (0.47) ALDH1A1DRD2DRD3CHRNA7SLC6A2
SCHEMBL28132486 0.76 ALDH1A1 (0.51) ALDH1A1KDM1ACHRNA7SLC6A2ADRA1A
SCHEMBL11641230 0.76 ALDH1A1 (0.51) ALDH1A1CHRNA7SLC6A2ADRA1AHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910155-A Be used for the treatment of biphenyl derivatives with histamine-obstacle that the H3 receptor modulators is relevant as histamine-H3 receptor modulators ARENA PHARM INC 2010-12-08 CN disclosed
EP-2217592-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009058300-A1 BIPHENYL DERIVATIVES AS MODULATORS OF THE HISTAMINE-H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed