SCHEMBL23870336

SCHEMBL23870336

CC1CCC(OCCCOCCCN2CCCN(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ HRH3 Q9Y5N1 12/20 0.38
▸ SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL22890944 0.79 NPC1 (0.67) NPC1HRH3SIGMAR1
SCHEMBL27372831 0.77 HRH3 (0.42) NPC1HRH3SIGMAR1
SCHEMBL14654909 0.75 NPC1 (0.60) NPC1HRH3SIGMAR1
SCHEMBL27365596 0.74 KDM4E (0.41) HRH3
SCHEMBL20333607 0.73 HRH3 (0.41) NPC1HRH3SIGMAR1
SCHEMBL18713115 0.73 NPC1 (0.67) NPC1HRH3
SCHEMBL14500230 0.73 KDM4E (0.51) HRH3SIGMAR1
SCHEMBL27370585 0.71 ALDH1A1 (0.41) HRH3SIGMAR1
SCHEMBL22564720 0.70 HRH3 (0.46) NPC1HRH3
SCHEMBL20234240 0.70 HRH3 (0.41) NPC1HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 — — WO disclosed
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