SCHEMBL8432175

SCHEMBL8432175

O=CNc1ccc2c(c1)C(CN1CCCCC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
OPRD1 P41143 3/20 0.38
METAP1 P53582 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8432229 0.99 MTNR1A (0.39) MTNR1AOPRD1METAP1HRH3HRH1
SCHEMBL6796587 0.83 LMNA (0.41) ALDH1A1MAPT
SCHEMBL6795440 0.82 MCHR1 (0.37)
SCHEMBL8432255 0.81 MTNR1A (0.62) MTNR1AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8521222 0.79 ADRA2A (0.46) MTNR1AOPRD1
SCHEMBL8436363 0.76 HTR6 (0.39) METAP1HRH3HRH1ALDH1A1
SCHEMBL8433448 0.75 MTNR1A (0.43) MTNR1AOPRD1
SCHEMBL7950364 0.73 MTNR1A (0.41) MTNR1ASMN1; SMN2
SCHEMBL6795934 0.72 METAP1 (0.51) METAP1
SCHEMBL8436848 0.72 ADRA2A (0.44) MTNR1A

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