SCHEMBL8944803

SCHEMBL8944803

CCC[Si]1(c2ccccc2)CCC([C@H]2CC[C@H](c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8944808 1.00 NPC1 (0.33) NPC1RAB9ADRD2KDM4E
SCHEMBL8944805 1.00 NPC1 (0.33) NPC1RAB9ADRD2KDM4E
SCHEMBL8040058 0.85 DRD2 (0.35) DRD2KDM4E
SCHEMBL8027949 0.83 USP5 (0.31) DRD2
SCHEMBL8027953 0.83 USP5 (0.31) DRD2
SCHEMBL8027948 0.83 USP5 (0.31) DRD2
SCHEMBL8977338 0.83 NPC1 (0.38) NPC1RAB9AKDM4E
SCHEMBL8977348 0.83 NPC1 (0.38) NPC1RAB9AKDM4E
SCHEMBL7759933 0.83 DGAT1 (0.32) NPC1RAB9A
SCHEMBL8580088 0.82 AKR1C2 (0.34) NPC1RAB9ADRD2

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-5560866-A Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-10-01 US disclosed
EP-0688776-A2 Process for preparing silacyclo-hexane compounds Shin-Etsu Chemical Co., Ltd. (JP) 1995-12-27 EP disclosed