SCHEMBL23536600

SCHEMBL23536600

CC(=O)n1cc(N2CCCCC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.51
POLB P06746 3/20 0.50
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CREBBP Q92793 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BRPF1 P55201 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 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
SCHEMBL3337511 0.79 CHRM2 (0.53) HTR6ALDH1A1MAPTL3MBTL1
SCHEMBL11786609 0.76 HTR6 (0.54) HTR6ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL12073915 0.75 HDAC8 (0.51) HTR6POLBHTTCREBBPKDM4E
Hydrochloric Acid SCHEMBL11844003 0.74 HTR6 (0.52) HTR6ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL28582365 0.72 HTT (0.51) POLBHTTALDH1A1SMN1; SMN2CREBBP
SCHEMBL1333179 0.72 HTT (0.54) POLBHTTALDH1A1SMN1; SMN2CREBBP
SCHEMBL887129 0.72 HTT (0.54) POLBHTTALDH1A1SMN1; SMN2CREBBP
SCHEMBL887130 0.72 CREBBP (0.55) POLBHTTALDH1A1SMN1; SMN2CREBBP
SCHEMBL4207590 0.70 CREBBP (0.63) POLBHTTALDH1A1SMN1; SMN2CREBBP
SCHEMBL13806317 0.70 POLB (0.54) POLBHTTALDH1A1SMN1; SMN2CREBBP

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed