SCHEMBL6161302

SCHEMBL6161302

O=C(OCc1ccccc1)N1CCC(O)(C(F)(F)F)CC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
KDM1A O60341 1/20 0.43
TMEM97 Q5BJF2 9/20 0.43
SIGMAR1 Q99720 9/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PARP1 P09874 1/20 0.41
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADAM10 O14672 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
PSEN1 P49768 1/20 0.40

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
SCHEMBL20449623 0.94 TMEM97 (0.42) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL2708318 0.89 TMEM97 (0.41) PDK1PDK2PDK3PDK4TMEM97
SCHEMBL26984159 0.84 KDM1A (0.48) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL28680130 0.84 KDM1A (0.48) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL27129689 0.83 SIGMAR1 (0.47) KDM1ATMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL26984268 0.83 SIGMAR1 (0.47) KDM1ATMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL22473262 0.82 ADAM10 (0.47) KDM1ATMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL26984155 0.82 ADAM10 (0.47) KDM1ATMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL3736894 0.82 TMEM97 (0.44) KDM1ATMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL27128343 0.82 KDM1A (0.47) PDK1PDK2PDK3PDK4KDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed