SCHEMBL8432255

SCHEMBL8432255

CC(=O)Nc1ccc2c(c1)C(CN1CCCCC1)CC2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.62
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
KDM2B Q8NHM5 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BAZ2B Q9UIF8 1/20 0.42
NQO2 P16083 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL6789138 0.84 MTNR1A (0.54) MTNR1AALDH1A1MEN1KMT2AMAPT
SCHEMBL6795987 0.84 MTNR1A (0.54) MTNR1AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6794918 0.84 MTNR1A (0.54) MTNR1AMAPTLMNASMN1; SMN2
SCHEMBL6789667 0.83 MTNR1A (0.53) MTNR1AMAPT
SCHEMBL6790143 0.83 MTNR1A (0.53) MTNR1ALMNASMN1; SMN2
SCHEMBL6793364 0.83 MTNR1A (0.53) MTNR1AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6793747 0.83 MTNR1A (0.53) MTNR1A
SCHEMBL6795946 0.83 MTNR1A (0.53) MTNR1A
SCHEMBL6790119 0.82 MTNR1A (0.53) MTNR1AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6796568 0.82 MTNR1A (0.53) MTNR1AKDM4EALDH1A1CYP1A2MEN1

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