SCHEMBL8433919

SCHEMBL8433919

CC1CSc2ccc(N)cc21.CCCNCCC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.34
DRD2 P14416 4/20 0.32
DRD3 P35462 4/20 0.32
DRD4 P21917 3/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8434689 0.79 HTR2B (0.34) HTR2BDRD2DRD3DRD4
SCHEMBL20487608 0.73 CA12 (0.35) HTR2BDRD3CA12CA1CA2
SCHEMBL8435260 0.72 ACHE (0.38) DRD2DRD3DRD4
SCHEMBL8433915 0.68 ADRA2A (0.37) DRD2DRD3
SCHEMBL10290678 0.66 HTR2B (0.41) HTR2BDRD2DRD3CA1CA2
SCHEMBL10196253 0.66 HTR2A (0.41) HTR2BDRD2DRD3DRD4CA1
SCHEMBL8436520 0.65 MEN1 (0.37) HTR2BCA12CA1CA2CA9
SCHEMBL28331090 0.64 ALDH1A1 (0.64) DRD2DRD3DRD4CA12CA1
SCHEMBL6795662 0.64 ALDH1A1 (0.37) HTR2BCA12CA1CA2CA9
SCHEMBL7861297 0.63 EGFR (0.43) HTR2BCA12CA1CA2CA9

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