SCHEMBL8366554

SCHEMBL8366554

COC(=O)CCC(C#N)(CCOC1CCCCO1)c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.33
P2RX3 P56373 4/20 0.32
KDM4C Q9H3R0 1/20 0.32
GCK P35557 1/20 0.32
CREBBP Q92793 1/20 0.31
CTSC P53634 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL7768719 0.90 MEN1 (0.40) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6492354 0.89 MEN1 (0.37) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL3466801 0.84 MEN1 (0.34) MEN1KMT2AL3MBTL1P2RX3CREBBP
SCHEMBL7744791 0.82 HSD17B10 (0.41) KMT2ANPC1RAB9AALDH1A1
SCHEMBL5201304 0.79 MEN1 (0.41) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6952332 0.79 SLC6A3 (0.36) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL7744793 0.78 HSD17B10 (0.38) KMT2AALDH1A1
SCHEMBL7752046 0.77 RORC (0.36) KMT2ANPC1RAB9AALDH1A1
SCHEMBL7768729 0.77 MEN1 (0.40) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL4678659 0.74 MEN1 (0.40) MEN1KMT2ANPC1RAB9AP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965580-A TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS SANOFI (FR) 1999-10-12 US disclosed
US-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 US disclosed
US-5859029-A TREATING SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1999-01-12 US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 US disclosed
US-5656639-A POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1997-08-12 US disclosed