SCHEMBL6161607

SCHEMBL6161607

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.52
CALCRL Q16602 1/20 0.49
DPP4 P27487 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MPO P05164 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
SOS1 Q07889 5/20 0.47
KRAS P01116 1/20 0.47
FPR2 P25090 1/20 0.46
AKT1 P31749 1/20 0.46
BRD4 O60885 1/20 0.44
P2RY12 Q9H244 1/20 0.44

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 SCHEMBL6161918 0.99 SMYD3 (0.51) SMYD3CALCRLDPP4MEN1KMT2A
SCHEMBL6163764 0.85 CALCRL (0.54) CALCRLMEN1KMT2AFPR2P2RY12
SCHEMBL6163760 0.85 CALCRL (0.54) CALCRLMEN1KMT2AFPR2P2RY12
Hydrochloric Acid SCHEMBL6163192 0.85 CALCRL (0.54) CALCRLMEN1KMT2AFPR2P2RY12
Hydrochloric Acid SCHEMBL6163197 0.85 CALCRL (0.54) CALCRLMEN1KMT2AFPR2P2RY12
SCHEMBL6161993 0.84 CALCRL (0.53) CALCRLMEN1KMT2AFPR2P2RY12
SCHEMBL6162000 0.84 CALCRL (0.53) CALCRLMEN1KMT2AFPR2P2RY12
SCHEMBL6161281 0.84 P2RY12 (0.52) SMYD3CALCRLMEN1KMT2AFPR2
SCHEMBL6161284 0.84 P2RY12 (0.52) SMYD3CALCRLMEN1KMT2AFPR2
SCHEMBL6163835 0.84 BRD4 (0.54) SMYD3DPP4LMNAFPR2AKT1

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