SCHEMBL11495481

SCHEMBL11495481

CN(C)[C@@H]1CCC[C@@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.41
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE P12821 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 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
SCHEMBL11495484 1.00 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL11457006 1.00 PEPD (0.41) PEPDMEN1BLMKMT2AACE
SCHEMBL11453674 0.95 EPHX1 (0.40) MEN1BLMKMT2AALDH1A1LMNA
SCHEMBL11453672 0.95 EPHX1 (0.40) MEN1BLMKMT2AALDH1A1LMNA
SCHEMBL11453673 0.95 EPHX1 (0.40) MEN1BLMKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL11467862 0.93 PEPD (0.39) PEPDALDH1A1LMNAEPHX1
Hydrochloric Acid SCHEMBL11467863 0.93 PEPD (0.39) PEPDALDH1A1LMNAEPHX1
Hydrochloric Acid SCHEMBL11467864 0.93 PEPD (0.39) PEPDALDH1A1LMNAEPHX1
SCHEMBL8207654 0.81 PEPD (0.37) PEPDMEN1BLMKMT2AACE
SCHEMBL14597528 0.77 EPHX1 (0.40) ALDH1A1PKMEPHX1

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
US-4197308-A Analgesic N-(2-heterocyclic-amino cycloaliphatic) benzamides THE UPJOHN COMPANY (US) 1980-04-08 US disclosed
US-4098904-A ANALGESIC N-(2-AMINOCYCLOALIPHATIC)BENZAMIDES THE UPJOHN COMPANY (US) 1978-07-04 US disclosed