SCHEMBL1727652

SCHEMBL1727652

NC(=O)CN(CCC1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.42
▸ CHRNA7 P36544 4/20 0.42
▸ HTR3A P46098 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ LCAT P04180 2/20 0.39

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
SCHEMBL1727769 0.90 CHRNA7 (0.43) SCDCHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL1727572 0.86 CNR1 (0.41) —
SCHEMBL1729770 0.85 LMNA (0.38) SCDMEN1KMT2A
SCHEMBL1730301 0.85 LMNA (0.38) SCDMEN1KMT2A
SCHEMBL1727953 0.81 PDE10A (0.45) HTR3A
SCHEMBL1728042 0.81 RXRA (0.46) —
SCHEMBL1728786 0.79 HTR1A (0.42) NPC1RAB9A
SCHEMBL1729037 0.78 HCAR2 (0.46) HTR3ANPC1RAB9A
SCHEMBL1730249 0.78 HTR3A (0.42) HTR3A
SCHEMBL1730164 0.77 DEGS1 (0.47) —

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 — — EP claimed
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