SCHEMBL6990507

SCHEMBL6990507

CC(C)(C)OC(=O)NCc1ccccc1N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
HTR1A P08908 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
KCNA5 P22460 1/20 0.44
NAMPT P43490 1/20 0.43
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4A O75164 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
SCHEMBL20157160 0.86 DRD2 (0.53) DRD2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5338207 0.85 BRD9 (0.47) DRD2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5393894 0.83 ACACB (0.42) DRD2ACACBACACANAMPTL3MBTL1
SCHEMBL7540124 0.83 SETDB1 (0.55) DRD2HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8335595 0.82 SETDB1 (0.53) DRD2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14355994 0.81 BRD9 (0.48) DRD2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5332614 0.81 HTR1A (0.51) DRD2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL30159605 0.79 KCNA5 (0.56) KCNA5NAMPTL3MBTL1KDM4A
SCHEMBL8018113 0.79 KCNA5 (0.56) KCNA5NAMPTL3MBTL1KDM4A
SCHEMBL24120598 0.79 SMN1; SMN2 (0.52) ACACBACACANAMPTL3MBTL1HTR3E

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
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed