SCHEMBL30933765

SCHEMBL30933765

CCOc1ccc(OC)cc1CNCC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.49
TDP1 Q9NUW8 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HTR4 Q13639 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
EPHX2 P34913 1/20 0.41
TACR1 P25103 2/20 0.40
APLNR P35414 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 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
Hydrochloric Acid SCHEMBL30933705 0.99 EP300 (0.48) EP300TDP1MTNR1AMTNR1BHTR4
Hydrochloric Acid SCHEMBL30933650 0.85 TACR1 (0.53) EP300PRMT5WDR77TACR1CYP1A2
SCHEMBL30933924 0.84 PRMT5 (0.42) ALDH1A1PRMT5WDR77CYP1A2CYP2D6
SCHEMBL30933773 0.84 CYP2D6 (0.56) PRMT5WDR77CYP1A2CYP2D6MAPT
Hydrochloric Acid SCHEMBL30933803 0.83 CYP1A2 (0.58) ALDH1A1PRMT5WDR77CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL30933664 0.83 MAPK1 (0.44) ALDH1A1PRMT5WDR77CYP1A2CYP2D6
SCHEMBL31507094 0.83 APLNR (0.61) EP300TDP1HTR4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL30933813 0.81 CYP1A2 (0.43) EP300ALDH1A1PRMT5WDR77TACR1
SCHEMBL30933867 0.79 PRMT5 (0.53) EP300HTR4PRMT5WDR77CYP1A2
Hydrochloric Acid SCHEMBL30933675 0.78 PRMT5 (0.52) EP300HTR4PRMT5WDR77CYP1A2

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-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed