SCHEMBL6161817

SCHEMBL6161817

c1ccc(-c2nc3ccccc3n2C2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.60
CYP11B1 P15538 2/20 0.50
RPS6KB1 P23443 4/20 0.48
ROCK1 Q13464 4/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
BRD4 O60885 1/20 0.46
PRKACA P17612 3/20 0.46
GSK3B P49841 3/20 0.46
FPR2 P25090 1/20 0.46
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRL1 P41146 1/20 0.45
RPS6KA5 O75582 1/20 0.44
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
Hydrochloric Acid SCHEMBL4923120 0.99 CYP11B2 (0.59) CYP11B2CYP11B1RPS6KB1ROCK1HDAC1
SCHEMBL29056722 0.88 CYP11B2 (0.54) CYP11B2CYP11B1HDAC1HDAC8HDAC6
SCHEMBL28236159 0.85 CYP11B2 (0.63) CYP11B2CYP11B1RPS6KB1ROCK1HDAC1
SCHEMBL7587030 0.82 CCR5 (0.54) CYP11B2RPS6KB1ROCK1FPR2OPRM1
SCHEMBL13319463 0.82 CYP11B2 (0.50) CYP11B2RPS6KB1ROCK1PRKACAGSK3B
SCHEMBL29056735 0.81 OPRM1 (0.48) CYP11B2HDAC1HDAC8HDAC6BRD4
SCHEMBL6160948 0.81 TP53 (0.58) CYP11B2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4379304 0.81 CCR5 (0.53) CYP11B2RPS6KB1ROCK1FPR2OPRM1
SCHEMBL9876669 0.79 TP53 (0.46) CYP11B2RPS6KB1ROCK1BRD4PRKACA
SCHEMBL11791438 0.79 OPRM1 (0.45) CYP11B2RPS6KB1ROCK1PRKACAGSK3B

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