SCHEMBL6161284

SCHEMBL6161284

CC(C)(N)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.52
CALCRL Q16602 3/20 0.51
FPR2 P25090 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
CYP3A4 P08684 2/20 0.42
PKM P14618 1/20 0.42
BRD4 O60885 1/20 0.42
CCKBR P32239 3/20 0.41
SMYD3 Q9H7B4 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
SCHEMBL6161281 1.00 P2RY12 (0.52) P2RY12CALCRLFPR2MEN1KMT2A
Hydrochloric Acid SCHEMBL6161916 0.99 P2RY12 (0.51) P2RY12CALCRLFPR2MEN1KMT2A
Hydrochloric Acid SCHEMBL6161920 0.99 P2RY12 (0.51) P2RY12CALCRLFPR2MEN1KMT2A
SCHEMBL6163760 0.91 CALCRL (0.54) P2RY12CALCRLFPR2MEN1KMT2A
SCHEMBL6163764 0.91 CALCRL (0.54) P2RY12CALCRLFPR2MEN1KMT2A
Hydrochloric Acid SCHEMBL6163197 0.91 CALCRL (0.54) P2RY12CALCRLFPR2MEN1KMT2A
Hydrochloric Acid SCHEMBL6163192 0.91 CALCRL (0.54) P2RY12CALCRLFPR2MEN1KMT2A
SCHEMBL6164342 0.89 MEN1 (0.50) P2RY12CALCRLFPR2MEN1KMT2A
SCHEMBL6164336 0.89 MEN1 (0.50) P2RY12CALCRLFPR2MEN1KMT2A
SCHEMBL6165907 0.85 MEN1 (0.51) P2RY12CALCRLFPR2MEN1KMT2A

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 3 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 claimed
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