SCHEMBL2578334

SCHEMBL2578334

CCCOc1c(C2CCNCC2)ccc(C(N)=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
IKBKB O14920 2/20 0.38
PARP1 P09874 2/20 0.38
CHUK O15111 1/20 0.37
HTR6 P50406 7/20 0.37
BTK Q06187 2/20 0.36
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
CDC7 O00311 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
SCHEMBL3809376 0.75 HTR2C (0.59) HTR2CIKBKBPARP1CHUKHTR6
Hydrochloric Acid SCHEMBL27587929 0.74 HTR2C (0.60) HTR2CIKBKBPARP1CHUKHTR6
SCHEMBL27725541 0.73 PLAT (0.43) HTR2CHTR6SLC6A2SLC6A4
SCHEMBL4297429 0.72 SLC6A2 (0.46) HTR2CIKBKBHTR6HTR1ASLC6A2
SCHEMBL167910 0.72 PARP1 (0.45) HTR2CIKBKBPARP1CHUKHTR1A
SCHEMBL6783764 0.70 SLC6A4 (0.44) HTR2CIKBKBHTR6HTR1ASLC6A2
SCHEMBL16717673 0.68 BRD4 (0.37)
SCHEMBL17004903 0.68 BRD4 (0.37)
SCHEMBL28744208 0.68 MAPT (0.38) IKBKBSLC6A3
SCHEMBL15566704 0.68 MAP3K5 (0.54)

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
EP-2114931-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2011-11-02 EP disclosed