SCHEMBL3844239

SCHEMBL3844239

O=C(c1ccc(F)cc1)[N+]1(C2CCNC2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33

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
SCHEMBL4170563 0.80 HPGD (0.42) RAB9A
SCHEMBL2878939 0.75 HDAC6 (0.46) —
SCHEMBL4790571 0.72 KMT2A (0.45) —
SCHEMBL2887550 0.70 SLC6A4 (0.42) —
SCHEMBL2146518 0.68 MEN1 (0.54) —
Hydrochloric Acid SCHEMBL5478248 0.67 MEN1 (0.57) —
Hydrochloric Acid SCHEMBL5478246 0.67 MEN1 (0.57) —
SCHEMBL2323451 0.66 HSD11B1 (0.49) —
SCHEMBL5473682 0.65 DRD2 (0.54) —
SCHEMBL4794552 0.65 — —

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
EP-2027086-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-02-25 — — EP disclosed
WO-2007136668-A2 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-11-29 — — WO disclosed
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