SCHEMBL7698356

SCHEMBL7698356

N#Cc1ccc2c(c1)CCC(CNCCc1ccccc1)C2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
SLC6A4 P31645 1/20 0.39
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CDKN1A P38936 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
NAMPT P43490 1/20 0.37
SLC6A9 P48067 1/20 0.37
GRIN2B Q13224 1/20 0.36
FFAR1 O14842 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7703309 0.84 ALDH1A1 (0.47) MTNR1AMTNR1BGRIN2BALDH1A1SMN1; SMN2
SCHEMBL7702593 0.84 MTNR1A (0.42) MTNR1AMTNR1BKDM1AMAOAHTR2A
SCHEMBL7700454 0.84 MTNR1A (0.42) MTNR1AMTNR1BKDM1AMAOAHTR2A
SCHEMBL7706107 0.84 MTNR1A (0.42) MTNR1AMTNR1BKDM1AMAOAHTR2A
SCHEMBL7703316 0.84 ALDH1A1 (0.47) MTNR1AMTNR1BGRIN2BALDH1A1SMN1; SMN2
SCHEMBL7702709 0.84 ALDH1A1 (0.47) MTNR1AMTNR1BGRIN2BALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7706179 0.82 MTNR1A (0.47) MTNR1AMTNR1BDRD2DRD3SLC6A4
SCHEMBL7700176 0.81 SLC6A9 (0.58) MTNR1AMTNR1BSLC6A9GRIN2B
SCHEMBL7700173 0.81 SLC6A9 (0.58) MTNR1AMTNR1BSLC6A9GRIN2B
SCHEMBL7700178 0.81 SLC6A9 (0.58) MTNR1AMTNR1BSLC6A9GRIN2B

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
EP-1100769-B1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL NV (NL) 2002-12-04 EP disclosed
US-6410592-B1 THERAPY FOR CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed