SCHEMBL9119618

SCHEMBL9119618

COc1ccc2oc(C)c(C(C)N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HSD17B10 Q99714 4/20 0.49
ATM Q13315 1/20 0.46
MAOA P21397 2/20 0.44
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 2/20 0.43

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 0.76 SMN1; SMN2 (0.63) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL9119624 0.74 SMN1; SMN2 (0.54) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL18045173 0.73 ALDH1A1 (0.77) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL20559453 0.72 TAS1R3 (0.56) GAAKDM4EALDH1A1HPGD
SCHEMBL9826727 0.72 TAS1R3 (0.56) GAAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL23532113 0.71 CA2 (0.46) SMN1; SMN2GAAKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL10458712 0.71 TAS1R3 (0.55) GAAKDM4EALDH1A1HPGD
SCHEMBL12301750 0.71 KDM4E (0.53) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL18766192 0.71 KDM4E (0.62) SMN1; SMN2POLBGAAKDM4EALDH1A1
SCHEMBL9122416 0.70 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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