SCHEMBL9119624

SCHEMBL9119624

COc1ccc2oc(C)c(CCN)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HTR1D P28221 2/20 0.54
HTR6 P50406 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.53
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HSD17B10 Q99714 2/20 0.48
NQO1 P15559 1/20 0.46
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL436334 0.75 SMN1; SMN2 (0.63) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL8126457 0.74 MTNR1A (0.53) SMN1; SMN2POLBKDM4EALDH1A1MAPT
SCHEMBL9119618 0.74 SMN1; SMN2 (0.55) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL20562108 0.74 CA2 (0.54) SMN1; SMN2HTR6KDM4EALDH1A1HPGD
SCHEMBL9295805 0.73 MTNR1A (0.67) ALDH1A1
SCHEMBL18045173 0.72 ALDH1A1 (0.77) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL9253882 0.71 ALDH1A1 (0.51) SMN1; SMN2HTR1DHTR6POLBGAA
SCHEMBL29699265 0.71 KDM4E (0.60) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL18766190 0.71 KDM4E (0.60) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL9122419 0.71 MTNR1A (0.61) HTR1DHTR6ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380750-A Arylethylamine compounds ADIR ET COMPAGNIE (FR) 1995-01-10 US disclosed
US-5308866-A Treatment of melatonin related disorders, sleep disorders, psychological disorders ADIR ET COMPAGNIE (FR) 1994-05-03 US disclosed
US-5276051-A Treatment of melatoninergic system, antiischemic agents and skin disorders using aminoalkylindole compounds ADIR ET COMPAGNIE (FR) 1994-01-04 US disclosed