SCHEMBL6163835

SCHEMBL6163835

NC(Cc1ccccc1)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
FPR2 P25090 1/20 0.49
PIK3CD O00329 2/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
AKT3 Q9Y243 2/20 0.47
OPRD1 P41143 2/20 0.47
SMYD3 Q9H7B4 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
OPRK1 P41145 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
HDAC8 Q9BY41 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ROCK2 O75116 1/20 0.45
CYP3A4 P08684 1/20 0.45

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 SCHEMBL6165462 0.99 BRD4 (0.53) BRD4FPR2PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL6162622 0.90 OPRD1 (0.52) BRD4FPR2PIK3CDPIK3CAPIK3CB
SCHEMBL6161607 0.84 SMYD3 (0.52) BRD4FPR2AKT1SMYD3LMNA
Hydrochloric Acid SCHEMBL6161918 0.83 SMYD3 (0.51) BRD4FPR2AKT1SMYD3LMNA
SCHEMBL6163831 0.82 CALCRL (0.47) BRD4FPR2OPRD1LMNAOPRK1
SCHEMBL6163841 0.82 CALCRL (0.47) BRD4FPR2OPRD1LMNAOPRK1
Hydrochloric Acid SCHEMBL6163658 0.82 CALCRL (0.47) BRD4FPR2OPRD1LMNAOPRK1
Hydrochloric Acid SCHEMBL6163666 0.82 CALCRL (0.47) BRD4FPR2OPRD1LMNAOPRK1
Hydrochloric Acid SCHEMBL6161462 0.77 CALCRL (0.46) BRD4FPR2OPRD1LMNAOPRK1
SCHEMBL6162890 0.77 MAPK1 (0.57) BRD4FPR2OPRD1POLBOPRK1

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 1 patent. 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