SCHEMBL7704875

SCHEMBL7704875

CC(=O)N1CC(CCCN2CC=C(c3c[nH]c4ccccc34)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.54
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
ALOX15 P16050 2/20 0.52
SIGMAR1 Q99720 1/20 0.51
HTR1A P08908 5/20 0.48
HTR2A P28223 1/20 0.48
HTT P42858 1/20 0.48
SLC6A4 P31645 2/20 0.48
POLB P06746 1/20 0.48
HTR6 P50406 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7705801 0.95 KDM4E (0.54) DRD2KDM4ELMNAALOX15SIGMAR1
SCHEMBL7213933 0.90 HTR1D (0.51) DRD2HTR1ASLC6A4HTR6
SCHEMBL7213767 0.88 DRD2 (0.51) DRD2HTR1ASLC6A4HTR6
Hydrochloric Acid SCHEMBL6676940 0.85 HTR1D (0.54) DRD2HTR1AHTR2ASLC6A4HTR6
Hydrochloric Acid SCHEMBL6676944 0.85 HTR1D (0.54) DRD2HTR1AHTR2ASLC6A4HTR6
SCHEMBL544948 0.85 HTR1D (0.54) DRD2HTR1AHTR2ASLC6A4HTR6
SCHEMBL5386204 0.85 HTR1D (0.54) DRD2HTR1AHTR2ASLC6A4HTR6
SCHEMBL5398831 0.85 HTR1D (0.54) DRD2HTR1AHTR2ASLC6A4HTR6
SCHEMBL7220005 0.83 DRD2 (0.46) DRD2KDM4ELMNAALOX15HTR1A
SCHEMBL7213885 0.82 HTR1A (0.43) DRD2KDM4ELMNAALOX15HTR1A

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-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed