SCHEMBL6161993

SCHEMBL6161993

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1)C1CCN(C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ECE1 P42892 1/20 0.49
P2RY12 Q9H244 1/20 0.48
FPR2 P25090 1/20 0.47
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
GHSR Q92847 2/20 0.43
CYP3A4 P08684 1/20 0.43
OPRD1 P41143 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL6162000 1.00 CALCRL (0.53) CALCRLMEN1KMT2AECE1P2RY12
SCHEMBL6163760 0.86 CALCRL (0.54) CALCRLMEN1KMT2AP2RY12FPR2
SCHEMBL6163764 0.86 CALCRL (0.54) CALCRLMEN1KMT2AP2RY12FPR2
Hydrochloric Acid SCHEMBL6163192 0.85 CALCRL (0.54) CALCRLMEN1KMT2AP2RY12FPR2
Hydrochloric Acid SCHEMBL6163197 0.85 CALCRL (0.54) CALCRLMEN1KMT2AP2RY12FPR2
SCHEMBL6161281 0.85 P2RY12 (0.52) CALCRLMEN1KMT2AP2RY12FPR2
SCHEMBL6161284 0.85 P2RY12 (0.52) CALCRLMEN1KMT2AP2RY12FPR2
SCHEMBL6161607 0.84 SMYD3 (0.52) CALCRLMEN1KMT2AP2RY12FPR2
Hydrochloric Acid SCHEMBL6161916 0.84 P2RY12 (0.51) CALCRLMEN1KMT2AP2RY12FPR2
Hydrochloric Acid SCHEMBL6166180 0.84 CALCRL (0.51) CALCRLMEN1KMT2AECE1P2RY12

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 disclosed