SCHEMBL6161242

SCHEMBL6161242

Cc1[nH]c2ccccc2c1CC(NC(=O)C(C)(C)N)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.44
CALCA P06881 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.40
CYP51A1 Q16850 1/20 0.40
LIPE Q05469 1/20 0.39
HPN P05981 1/20 0.39
HGFAC Q04756 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL6161237 1.00 CCR1 (0.44) CCR1CALCAKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6163321 0.99 CCR1 (0.43) CCR1CALCAKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6159712 0.99 CCR1 (0.43) CCR1CALCAKDM4EALDH1A1MAPT
SCHEMBL6163768 0.86 KMT2A (0.43) CCR1MEN1KMT2A
SCHEMBL6163772 0.86 KMT2A (0.43) CCR1MEN1KMT2A
SCHEMBL6161834 0.83 CALCRL (0.56)
SCHEMBL6161840 0.83 CALCRL (0.56)
SCHEMBL6160232 0.83 GHSR (0.55) MEN1KMT2A
SCHEMBL6160217 0.83 GHSR (0.55) MEN1KMT2A
Hydrochloric Acid SCHEMBL6161051 0.82 GHSR (0.54) MEN1KMT2A

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