SCHEMBL9433786

SCHEMBL9433786

COC(=O)[C@]1(N)CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HDAC9 Q9UKV0 1/20 0.41
MAPT P10636 1/20 0.41
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40
AKR1B1 P15121 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9431163 0.91 TACR1 (0.44) KDM1AKMT2AMEN1HDAC9MAPT
SCHEMBL2464083 0.91 TACR1 (0.44) KDM1AKMT2AMEN1HDAC9MAPT
SCHEMBL17604702 0.82 OPRM1 (0.41) HDAC9TACR1TACR3
SCHEMBL17604704 0.82 OPRM1 (0.41) HDAC9TACR1TACR3
SCHEMBL5719563 0.81 KDM1A (0.44) KDM1AKMT2AMEN1HDAC9MAPT
SCHEMBL60004 0.81 RAD52 (0.55) KDM1AKMT2AMEN1HDAC9MAPT
SCHEMBL10932401 0.80 KDM1A (0.47) KDM1AKMT2AMEN1HDAC9TACR1
SCHEMBL16836079 0.80 KDM1A (0.43) KDM1AKMT2AMEN1HDAC9MAPT
SCHEMBL29724249 0.80 KDM1A (0.47) KDM1AKMT2AMEN1HDAC9TACR1
Hydrochloric Acid SCHEMBL11149959 0.80 RAD52 (0.53) KDM1AKMT2AMEN1HDAC9MAPT

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
WO-1994015917-A1 ALPHA-METHYL-(R)-TRYPTOPHYL-ARYLCYCLOALKYLALKYLAMIDES AS LIGANDS FOR GASTRIN RECEPTORS INSTITUT DE RECHERCHE JOUVEINAL (I.R.J.) (FR) 1994-07-21 WO disclosed