SCHEMBL6986778

SCHEMBL6986778

COC(=O)CCCc1noc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
MAOB P27338 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL6990028 0.92 SMN1; SMN2 (0.50) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL17240951 0.82 LMNA (0.50) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6995111 0.82 SMN1; SMN2 (0.59) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL22630316 0.77 LMNA (0.50) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6997107 0.76 LMNA (0.53) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL17241030 0.76 LMNA (0.51) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8242977 0.76 FAAH (0.54) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6990328 0.74 LMNA (0.50) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL462156 0.74 FAAH (0.56) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5511869 0.72 LMNA (0.51) MAPTRAB9ASMN1; SMN2NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859004-B1 Piperidine derivatives having anxiolytic effect LUNDBECK & CO AS H (DK) 2003-05-02 EP disclosed
US-6207677-B1 ADMINISERING SIGMA RECEPTOR BINDING PIPERIDINE DERIVATIVE FOR TREATING ANXIETY, EPILEPSY, CONVULSION, MOVEMENT DISORDER, AMNESIA H. LUNDBECK A/S (DK) 2001-03-27 US disclosed
US-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US disclosed
US-5807871-A PSYCHOLOGICAL DISORDERS, ALZHEIMER OR PARKINSON DISEASE H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0593511-B1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT LUNDBECK & CO AS H (DK) 1998-09-02 EP disclosed
EP-0859004-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-08-19 EP disclosed
EP-0853085-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-07-15 EP disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
EP-0593511-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1994-04-27 EP disclosed
WO-1992022554-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1992-12-23 WO disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed