SCHEMBL4591916

SCHEMBL4591916

COC(=O)CN1[C@@H]2CCC[C@@]1(Cc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL3979443 0.74 HRH3 (0.38) KDM4EALDH1A1
Bromide SCHEMBL6890863 0.73 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL8947196 0.72 KDM4E (0.45) KDM4EALDH1A1LMNAPOLBPKM
SCHEMBL7349988 0.72 OPRL1 (0.32) KDM4ESMN1; SMN2
SCHEMBL21683425 0.70 OPRM1 (0.36) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4591524 0.70 SLC6A3 (0.42) MEN1KMT2A
SCHEMBL8946980 0.69 HTR2C (0.43) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19850549 0.69 OPRL1 (0.37) MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8843548 0.68 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27338135 0.68 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAPOLB

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-1945212-A1 TREATMENT OF DIABETES NEUROSEARCH A/S (DK) 2008-07-23 EP disclosed
WO-2007051594-A1 TREATMENT OF DIABETES NEUROSEARCH A/S (DK) 2007-05-10 WO disclosed