SCHEMBL21535007

SCHEMBL21535007

CC(C)(CN1CCC(CNc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2)CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
SSTR5 P35346 1/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 1/20 0.41
MLYCD O95822 3/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
PTPN1 P18031 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL21534966 0.99 HRH3 (0.42) HRH3SSTR5HPGDMAPK1MLYCD
SCHEMBL21534964 0.91 HRH3 (0.43) HRH3SSTR5HPGDMAPK1MLYCD
SCHEMBL16777093 0.91 GRM3 (0.41) HRH3SSTR5KMT2A
SCHEMBL15539256 0.91 GRM3 (0.41) HRH3SSTR5KMT2A
SCHEMBL15539383 0.91 GRM3 (0.41) HRH3SSTR5KMT2A
SCHEMBL16777141 0.89 HDAC4 (0.44) HRH3SSTR5PTPN1LMNAPDK2
SCHEMBL15537803 0.89 HDAC4 (0.44) HRH3SSTR5PTPN1LMNAPDK2
SCHEMBL15540337 0.88 SSTR5 (0.52) SSTR5
SCHEMBL16777015 0.86 CHRM4 (0.46) SSTR5CNR1CNR2MEN1KMT2A
SCHEMBL20053700 0.84 SPHK1 (0.41) SSTR5PDK2

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-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed