SCHEMBL6161497

SCHEMBL6161497

CC(C)(C)OC(=O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
OPRD1 P41143 5/20 0.49
OPRK1 P41145 5/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
OPRM1 P35372 4/20 0.48
SLC22A1 O15245 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
TACR1 P25103 1/20 0.48
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL6161492 0.91 TSHR (0.56) TSHRALOX15ATMMEN1KMT2A
SCHEMBL12983493 0.88 OPRM1 (0.52) TSHRALOX15ATMMEN1KMT2A
SCHEMBL18204379 0.88 MEN1 (0.46) TSHRALOX15MEN1KMT2ANPSR1
SCHEMBL5750735 0.85 MEN1 (0.51) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2467789 0.84 KMT2A (0.58) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2319741 0.84 MEN1 (0.53) ALOX15MEN1KMT2ANPSR1OPRD1
SCHEMBL30121349 0.83 MEN1 (0.54) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL5751794 0.83 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL3106923 0.82 TSHR (0.53) TSHRALOX15ATMMEN1KMT2A
SCHEMBL16639868 0.82 SMN1; SMN2 (0.59) ALOX15MEN1KMT2ANPSR1OPRD1

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