SCHEMBL29972733

SCHEMBL29972733

Clc1cc2cc3c(cc2cn1)CCC3

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PRNP P04156 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL26352907 1.00 SMN1; SMN2 (0.38) SMN1; SMN2MAPTRAB9ANOS3NOS1
SCHEMBL22369571 0.80 NOS3 (0.50) SMN1; SMN2MAPTRAB9ANOS3NOS1
SCHEMBL26353179 0.78 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL29973118 0.78 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL20951048 0.77 ALDH1A1 (0.36) SMN1; SMN2KDM4E
SCHEMBL29383919 0.76 NOS3 (0.56) SMN1; SMN2MAPTRAB9ANOS3NOS1
SCHEMBL425866 0.76 NOS3 (0.56) SMN1; SMN2MAPTRAB9ANOS3NOS1
SCHEMBL23591573 0.75 CYP1A2 (0.47) SMN1; SMN2MAPTRAB9ANOS3NOS1
SCHEMBL20687400 0.74 NOS3 (0.54) SMN1; SMN2MAPTRAB9ANOS3NOS1
SCHEMBL29972541 0.72 ACHE (0.31) PRNPRXFP1

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
CN-114845778-A Dihydrocyclopentaisoquinoline sulfonamide derivative compound UCB生物制药有限责任公司 2022-08-02 CN disclosed