SCHEMBL20053602

SCHEMBL20053602

CN(CC1CCN(CC2(C(F)(F)F)CCC2)CC1)c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
HPGD P15428 4/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRB2 P07550 1/20 0.37
MAPK1 P28482 1/20 0.37
MLYCD O95822 2/20 0.37
MCHR1 Q99705 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.36
CHKA P35790 1/20 0.36
DHFR P00374 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
SCHEMBL16777057 0.91 GRM3 (0.39) HRH3KMT2AMCHR1HDAC4
SCHEMBL16777056 0.91 GRM3 (0.39) HRH3KMT2AMCHR1HDAC4
SCHEMBL21534969 0.89 MCHR1 (0.33) HRH3MCHR1
SCHEMBL20053591 0.84 HRH3 (0.43) HRH3HPGDMEN1TSHRKMT2A
SCHEMBL20053587 0.82 HRH3 (0.42) HRH3HPGDMEN1TSHRKMT2A
SCHEMBL15537980 0.81 GRM3 (0.38) HRH3KMT2AALDH1A1SMN1; SMN2HDAC4
SCHEMBL15537978 0.81 GRM3 (0.38) HRH3KMT2AALDH1A1SMN1; SMN2HDAC4
SCHEMBL21042670 0.80 HRH3 (0.52) HRH3HPGDMEN1KMT2AADRB2
SCHEMBL16803779 0.79 GRM3 (0.41) HRH3CHKA
SCHEMBL15560215 0.79 KMT2A (0.38) HRH3KMT2AHDAC4

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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed