SCHEMBL9685762

SCHEMBL9685762

CC1(C)Oc2cc3nonc3cc2[C@@H](NC(=O)Nc2ccccc2)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ ABCC9 O60706 5/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 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
SCHEMBL9685744 1.00 KCNA5 (0.42) KCNA5MAPK1ABCC9NPC1RAB9A
SCHEMBL9029813 1.00 KCNA5 (0.42) KCNA5MAPK1ABCC9NPC1RAB9A
SCHEMBL9030630 0.81 ABCC9 (0.39) ABCC9
SCHEMBL9029521 0.81 ABCC9 (0.39) ABCC9
SCHEMBL8443291 0.79 ABCC9 (0.41) ABCC9
SCHEMBL9265492 0.79 KCNA5 (0.53) KCNA5ABCC9NPC1RAB9ASMN1; SMN2
SCHEMBL9265505 0.79 KCNA5 (0.53) KCNA5ABCC9NPC1RAB9ASMN1; SMN2
SCHEMBL9265483 0.79 KCNA5 (0.53) KCNA5ABCC9NPC1RAB9ASMN1; SMN2
SCHEMBL9030169 0.78 HTT (0.38) ABCC9NPC1RAB9ASMN1; SMN2POLB
SCHEMBL9272458 0.77 KCNA5 (0.47) KCNA5ABCC9NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164509-A BENZODIAZOLO ANALOGS E. R. SQUIBB & SONS, INC. (US) 1992-11-17 — — US claimed
EP-0488107-A2 Tricyclic benzodiazole analogs and their use in the treatment of cardiovascular disorders E.R. SQUIBB & SONS, INC. (US) 1992-06-03 — — EP claimed
US-5164509-A BENZODIAZOLO ANALOGS E. R. SQUIBB & SONS, INC. (US) 1992-11-17 — — US disclosed
EP-0488107-A2 Tricyclic benzodiazole analogs and their use in the treatment of cardiovascular disorders E.R. SQUIBB & SONS, INC. (US) 1992-06-03 — — EP disclosed
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