SCHEMBL8435260

SCHEMBL8435260

CC1CCc2ccc(N)cc21.CCCNCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
DRD1 P21728 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
DRD4 P21917 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HTR6 P50406 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 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
SCHEMBL19479394 0.86 DRD1 (0.42) DRD1DRD2GRIN2BHTR1AHTR6
SCHEMBL9627831 0.82 DRD2 (0.51) DRD2DRD3DRD4OPRM1OPRK1
SCHEMBL8697680 0.80 MTNR1A (0.36) ACHEDRD2DRD3DRD4HTR1D
SCHEMBL8436852 0.78 MTNR1A (0.38) ACHEDRD2DRD3DRD4HTR1D
SCHEMBL8435308 0.77 ADRA2A (0.43) DRD1DRD2HTR1ASLC6A2SLC6A4
SCHEMBL8433416 0.76 MTNR1A (0.58) ACHEHTR1ASLC6A2SLC6A4MTNR1A
SCHEMBL10256621 0.76 DRD1 (0.40) ACHEDRD1HTR1AHTR6SLC6A2
SCHEMBL8436872 0.74 MTNR1A (0.45) ACHEDRD2OPRM1OPRK1CYP2D6
SCHEMBL8432275 0.74 ACHE (0.42) ACHENQO2MTNR1AMTNR1B
SCHEMBL7861297 0.73 EGFR (0.43) GRIN2BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972964-A FOR TREATMENT OF CERTAIN PSYCHIC AND NEUROLOGIC DISORDERS SUCH AS PSYCHOSIS, ANXIETY DISORDERS, PANIC DISORDER, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, IMPULSE CONTROL DISORDERS, ALCOHOL ABUSE, AGGRESSION H. LUNDBECK A/S (DK) 1999-10-26 US disclosed
US-5807889-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0673360-B1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES LUNDBECK & CO AS H (DK) 1998-08-26 EP disclosed
EP-0673360-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013620-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed