SCHEMBL20053591

SCHEMBL20053591

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
HPGD P15428 4/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.41
MLYCD O95822 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MCHR1 Q99705 1/20 0.39
HDAC4 P56524 1/20 0.39
CHKA P35790 1/20 0.39

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
SCHEMBL20053587 0.92 HRH3 (0.42) HRH3HPGDMEN1TSHRKMT2A
SCHEMBL15539351 0.90 GRM3 (0.41) HRH3KMT2AMCHR1HDAC4
SCHEMBL15539353 0.90 GRM3 (0.41) HRH3KMT2AMCHR1HDAC4
SCHEMBL21534797 0.89 ALDH1A1 (0.43) HRH3HPGDKMT2AALDH1A1MCHR1
SCHEMBL20053602 0.84 HRH3 (0.41) HRH3HPGDMEN1TSHRKMT2A
SCHEMBL15560969 0.82 GRM3 (0.40) HRH3KMT2AMCHR1HDAC4
SCHEMBL15538384 0.82 GRM3 (0.40) HRH3KMT2AMCHR1HDAC4
SCHEMBL16803780 0.82 GRM3 (0.42) HRH3KMT2AHDAC4
SCHEMBL21534929 0.81 HRH3 (0.45) HRH3HPGDMEN1TSHRKMT2A
SCHEMBL21534964 0.81 HRH3 (0.43) HRH3HPGDMEN1TSHRKMT2A

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-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed