SCHEMBL7570474

SCHEMBL7570474

CCC(=O)N1CCC(N(C)[C@H]2CCSc3ccccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BLM P54132 1/20 0.39
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
RYR2 Q92736 1/20 0.37
BRD4 O60885 1/20 0.37
OPRD1 P41143 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7597122 0.81 ALDH1A1 (0.52) EPHX2KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7597118 0.81 ALDH1A1 (0.52) EPHX2KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7517086 0.74 HTR2C (0.38) KMT2ARYR2MEN1
SCHEMBL7517081 0.74 HTR2C (0.38) KMT2ARYR2MEN1
SCHEMBL12126922 0.70 MAOA (0.40) KMT2AALDH1A1MEN1
SCHEMBL3950125 0.67 NPC1 (0.42) KMT2AMEN1
SCHEMBL12516865 0.66 L3MBTL3 (0.53) EPHX2ALDH1A1
SCHEMBL22063182 0.66 EPHX2 (0.55) EPHX2BLMCHRM4CHRM1BRD4
SCHEMBL7550905 0.65 SIGMAR1 (0.41)
SCHEMBL18909095 0.65 EPHX2 (0.42) EPHX2KMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198463-A2 COMPOUNDS FOR USE IN TREATMENT OF NEUROLOGICAL DISORDERS AstraZeneca UK Limited (GB) 2002-04-24 EP disclosed
WO-2000078751-A2 COMPOUNDS FOR USE IN TREATMENT OF NEUROLOGICAL DISORDERS ASTRAZENECA UK LIMITED (GB) 2000-12-28 WO disclosed