SCHEMBL8098443

SCHEMBL8098443

O=S(=O)(c1ccccc1)n1c(C2(O)CC3CCC(C2)N3)cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 1/20 0.41
HTR6 P50406 3/20 0.40
CCR2 P41597 1/20 0.37
SRC P12931 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 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
SCHEMBL8108131 0.83 SLC6A4 (0.47) CREBBPCA12CA9CA2ALDH1A1
SCHEMBL7864965 0.73 OPRL1 (0.49) ALDH1A1HTR6MEN1TSHRKMT2A
SCHEMBL4014689 0.73 OPRL1 (0.49) CA12CA9CA2ALDH1A1LMNA
SCHEMBL31742261 0.71 CA12 (0.44) CREBBPCA12CA9CA2ALDH1A1
SCHEMBL3966205 0.71 CA12 (0.44) CREBBPCA12CA9CA2ALDH1A1
SCHEMBL10291046 0.68 CA12 (0.55) CA12CA9CA2ALDH1A1LMNA
SCHEMBL28059442 0.68 CA12 (0.55) CA12CA9CA2ALDH1A1LMNA
SCHEMBL3563271 0.66 CA12 (0.56) CA12CA9CA2ALDH1A1LMNA
SCHEMBL28228343 0.66 CA12 (0.56) CA12CA9CA2ALDH1A1LMNA
SCHEMBL7866465 0.66 PIK3CA (0.45) CREBBPCA12CA9CA2ALDH1A1

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
US-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
EP-0969005-A1 Azabicyclic inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 2000-01-05 EP disclosed