SCHEMBL24650484

SCHEMBL24650484

CCOC(=O)CCCCC1c2cc(OC)ccc2CC1N

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MTNR1B P49286 12/20 0.39
MTNR1A P48039 10/20 0.39
NQO2 P16083 8/20 0.39
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14337193 0.72 HTR2A (0.51) BRD4MTNR1BMTNR1ANQO2
SCHEMBL605742 0.68 HTR2A (0.45) MTNR1BMTNR1ANQO2
SCHEMBL4637019 0.67 DRD2 (0.47)
SCHEMBL10321961 0.67 DRD2 (0.47)
SCHEMBL603697 0.67 MTNR1B (0.43) MTNR1BMTNR1ANQO2TSHRALDH1A1
SCHEMBL11493848 0.67 DRD2 (0.51) BRD4
SCHEMBL9305716 0.67 BRD4 (0.56) BRD4
SCHEMBL10394947 0.67 ACHE (0.53) MTNR1BMTNR1ANQO2
Hydrochloric Acid SCHEMBL5433376 0.67 ALDH1A1 (0.38) BRD4MTNR1BMTNR1ANQO2TSHR
SCHEMBL3315502 0.66 CYP1A2 (0.45) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed