SCHEMBL6162930

SCHEMBL6162930

O=C(NC1CCN(C(=O)OCc2ccccc2)C1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
USP30 Q70CQ3 1/20 0.57
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55
CHRM2 P08172 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM3 P20309 1/20 0.54
PPARG P37231 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
F13A1 P00488 2/20 0.52
TGM2 P21980 2/20 0.52
TGM1 P22735 2/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL13161203 0.88 HSD11B1 (0.72) HSD11B1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2514580 0.88 EPHX2 (0.52) HSD11B1SMN1; SMN2NPC1RAB9ACHRM2
SCHEMBL5251521 0.88 EPHX2 (0.52) HSD11B1SMN1; SMN2NPC1RAB9ACHRM2
SCHEMBL13521537 0.87 MEN1 (0.57) HSD11B1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1191110 0.85 HSD11B1 (0.64) HSD11B1SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28649957 0.85 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL6174316 0.84 KDM5A (0.54) HSD11B1SMN1; SMN2NPC1RAB9AUSP30
SCHEMBL12745137 0.84 SMN1; SMN2 (0.61) HSD11B1SMN1; SMN2NPC1RAB9AUSP30
SCHEMBL31379527 0.84 SMN1; SMN2 (0.61) HSD11B1SMN1; SMN2NPC1RAB9AUSP30
SCHEMBL15669761 0.84 SMN1; SMN2 (0.62) HSD11B1SMN1; SMN2NPC1RAB9AUSP30

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 5 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
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed