SCHEMBL11601045

SCHEMBL11601045

N#CC(CCCN1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.52
▸ CCR1 P32246 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ ACHE P22303 4/20 0.48
▸ GRIN1 Q05586 3/20 0.48
▸ GRIN2A Q12879 3/20 0.48
▸ GRIN2D O15399 2/20 0.48
▸ GRIN3B O60391 2/20 0.48
▸ GRIN2B Q13224 2/20 0.48
▸ GRIN2C Q14957 2/20 0.48
▸ GRIN3A Q8TCU5 2/20 0.48

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
SCHEMBL11602637 0.92 APAF1 (0.60) APAF1SIGMAR1ACHEGRIN1GRIN2A
SCHEMBL11603842 0.89 APAF1 (0.52) APAF1SIGMAR1ACHEGRIN1GRIN2A
SCHEMBL11600536 0.87 ACHE (0.60) APAF1SIGMAR1ACHE
SCHEMBL2187592 0.87 APAF1 (0.57) APAF1SIGMAR1ACHEGRIN1GRIN2A
SCHEMBL11605701 0.87 SIGMAR1 (0.57) SIGMAR1ACHE
SCHEMBL11603834 0.85 SIGMAR1 (0.53) APAF1SIGMAR1ACHEGRIN1GRIN2A
SCHEMBL11603705 0.81 ACHE (0.56) APAF1SIGMAR1ACHEGRIN1GRIN2A
SCHEMBL3254208 0.81 SIGMAR1 (0.67) APAF1SIGMAR1ACHEGRIN1GRIN2A
SCHEMBL11604882 0.80 ACHE (0.56) APAF1SIGMAR1ACHEGRIN1GRIN2A
SCHEMBL11604676 0.79 SIGMAR1 (0.51) APAF1SIGMAR1ACHEGRIN1GRIN2A

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
US-4085216-A NEUROLEPTIC AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1978-04-18 — — US disclosed
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