SCHEMBL10679146

SCHEMBL10679146

CCN(CC)C(=O)CCCCc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DHODH Q02127 1/20 0.49
MYC P01106 1/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PDE10A Q9Y233 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TACR3 P29371 4/20 0.45
TACR2 P21452 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MOK Q9UQ07 1/20 0.44
CNR1 P21554 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL10683013 0.96 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTNPSR1
Hydrochloric Acid SCHEMBL10677070 0.90 KDM4E (0.51) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL10677865 0.84 KDM4E (0.54) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL10673312 0.83 PDE10A (0.54) KDM4EDHODHLMNASMN1; SMN2PDE10A
SCHEMBL10769477 0.82 MOK (0.52) ALDH1A1KDM4EHPGDMAPTDHODH
Hydrochloric Acid SCHEMBL10682090 0.81 MOK (0.51) ALDH1A1KDM4EHPGDMAPTDHODH
Hydrochloric Acid SCHEMBL10673221 0.81 ACP1 (0.51) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL10672513 0.80 KDM4E (0.60) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL10674581 0.79 PDE10A (0.55) ALDH1A1KDM4EDHODHLMNASMN1; SMN2
SCHEMBL9988793 0.79 DHODH (0.53) ALDH1A1KDM4EHPGDMAPTDHODH

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-4788204-A TRANQUILIZERS; ANTICONVULSANTS; ANGINA AND IMMUNODIFICIENCY TREATMENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed
US-4788199-A ANXIOLYTICS, ANTICONVULSANTS, ANTIANGINA AGENTS RHONE-POULENC SANTE (FR) 1988-11-29 US disclosed