SCHEMBL16319555

SCHEMBL16319555

O=C(c1cc[c]c(NC2CCCCC2)c1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL3 Q96JM7 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL16319842 0.90 BMPR1B (0.45) HPGDLMNAL3MBTL1NPC1RAB9A
SCHEMBL16320026 0.82 HCAR3 (0.48) HPGDLMNANPC1RAB9ACYP1A2
SCHEMBL16320397 0.81 FAAH (0.44) EPHX2
SCHEMBL16320332 0.80 RAB9A (0.52) HPGDALDH1A1LMNAL3MBTL1NPC1
SCHEMBL3514598 0.79 HPGD (0.45) HPGDALDH1A1EPHX2GAATSHR
SCHEMBL16319748 0.77 FYN (0.43) ALDH1A1LMNAGAANPC1RAB9A
SCHEMBL3515520 0.77 HRH3 (0.47) EPHX2
SCHEMBL3513460 0.76 L3MBTL3 (0.51) HPGDLMNAL3MBTL1NPC1RAB9A
SCHEMBL8170956 0.75 F2 (0.40) GAA
SCHEMBL16319440 0.74 SMN1; SMN2 (0.48) HPGDALDH1A1LMNAMAPK1EPHX2

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-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 EP disclosed