SCHEMBL7589757

SCHEMBL7589757

CCCC(O)c1cc(N2CCNCC2)cc(Br)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.43
CHRNA4 P43681 7/20 0.43
ADRB1 P08588 7/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL7591663 0.94 CHRNB2 (0.42) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL7582197 0.93 CHRNB2 (0.41) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL7590631 0.90 ADRB1 (0.46) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL7587237 0.83 CHRNB2 (0.48) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL7584867 0.80 CHRNB2 (0.45) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL7590671 0.80 CHRNB2 (0.45) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL7587341 0.76 ADRB1 (0.62) CHRNB2CHRNA4ADRB1CHRM2CHRM4
SCHEMBL7591694 0.72 DRD2 (0.39) HTR1ADRD2DRD4DRD3
SCHEMBL7585657 0.69 CHRM2 (0.43) CHRNB2CHRNA4ADRB1CHRM2CHRM4
Hydrochloric Acid SCHEMBL7584881 0.68 ALDH1A1 (0.42) CHRNB2CHRNA4ADRB1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675118-B1 Biphenylderivatives, process for their preparation and their use as medicaments EISAI CO LTD (JP) 2002-10-09 EP disclosed
US-6281214-B1 USEFUL FOR TREATING AND AMELIORATING MENTAL DISORDERS EISAI CO., LTD (JP) 2001-08-28 US disclosed
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0675118-A2 Biphenylderivatives, process for their preparation and their use as medicaments Eisai Co., Ltd. (JP) 1995-10-04 EP disclosed