SCHEMBL26977015

SCHEMBL26977015

CCN1CCC(c2cccc3ccc(-c4ccc5nn(C)cc5c4)nc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 7/20 0.39
CHRM4 P08173 2/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRM2 P08172 1/20 0.37
CYP2D6 P10635 1/20 0.37
GRIN2B Q13224 2/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GRM5 P41594 3/20 0.34
GRM1 Q13255 3/20 0.34

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
SCHEMBL26977084 0.85 CLK1 (0.40) HTTSYKCHRM4GRM5GRM1
SCHEMBL26976968 0.82 HTT (0.51) HTTALDH1A1SMN1; SMN2SYKGRIN2B
SCHEMBL20582169 0.81 HTT (0.60) HTTPIK3CAMTORALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL20582301 0.80 HTT (0.59) HTTPIK3CAMTORALDH1A1SMN1; SMN2
SCHEMBL21980140 0.78 HTT (0.56) HTTSYKCHRM4CHRM2CYP2D6
Hydrochloric Acid SCHEMBL21980201 0.77 HTT (0.55) HTTALDH1A1SMN1; SMN2SYKCHRM4
SCHEMBL26977098 0.74 HTT (0.39) HTTPIK3CAMTORALDH1A1SMN1; SMN2
SCHEMBL16338768 0.72 HTT (0.66) HTTMTORSYK
SCHEMBL26977191 0.71 GRM5 (0.40) HTTGRM5GRM1
SCHEMBL26976857 0.71 HTR2A (0.45) MTORALDH1A1DRD2SLC6A4CYP2D6

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
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP claimed