SCHEMBL9775246

SCHEMBL9775246

O=C(CCCc1ccccc1)N1CC[C@@H]2CCC[C@@]21C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PREP P48147 2/20 0.40

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
SCHEMBL9703231 0.73 CTSL (0.49) KMT2APREP
SCHEMBL9704275 0.73 CTSL (0.49) KMT2APREP
SCHEMBL7300923 0.69 FKBP1A (0.58) MEN1NPC1RAB9AKMT2A
SCHEMBL9216665 0.69 ALDH1A1 (0.54) MEN1KMT2APREP
SCHEMBL6367897 0.66 NPC1 (0.47) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL9476280 0.66 FKBP1A (0.58)
SCHEMBL11021498 0.66 FKBP1A (0.54) MEN1NPC1RAB9AKMT2A
SCHEMBL10380257 0.66 SMN1; SMN2 (0.51) MEN1NPC1RAB9AKMT2APREP
SCHEMBL6623800 0.65 SMN1; SMN2 (0.45) NPC1RAB9A
SCHEMBL23043208 0.65 PREP (0.43) PREP

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-5068242-A PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed