SCHEMBL437707

SCHEMBL437707

CC(C)C(NC(=O)C1(c2ccc(F)cc2)CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccc1.O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(C(=O)NC(CC2CC2)c2ccccc2)(c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
OPRL1 P41146 2/20 0.41
POLB P06746 1/20 0.40
TACR1 P25103 2/20 0.39
NPY1R P25929 1/20 0.39
SLC6A4 P31645 1/20 0.39
CCR1 P32246 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SLC6A7 Q99884 1/20 0.38
PTPN1 P18031 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7908350 0.93 HSD11B1 (0.46) HSD11B1OPRL1POLBTACR1NPY1R
SCHEMBL378786 0.90 MEN1 (0.46) HSD11B1OPRL1POLBCCR1KMT2A
SCHEMBL7908251 0.85 MAPT (0.42) HSD11B1POLBCCR1KMT2AMEN1
SCHEMBL3721822 0.83 ADRB3 (0.40) HSD11B1OPRL1TACR1SLC6A4PTPN1
SCHEMBL7910338 0.83 TACR1 (0.47) HSD11B1OPRL1TACR1KMT2AMEN1
SCHEMBL378790 0.83 TACR1 (0.47) HSD11B1OPRL1TACR1KMT2AMEN1
SCHEMBL379032 0.83 ADRB3 (0.39) HSD11B1OPRL1TACR1SLC6A4PTPN1
SCHEMBL378802 0.82 SLC6A9 (0.47) HSD11B1TACR1KMT2AMEN1SLC6A7
SCHEMBL3714839 0.79 NPC1 (0.49) HSD11B1POLBTACR1NPY1RSLC6A4
SCHEMBL7908348 0.79 HSD11B1 (0.48) HSD11B1OPRL1POLBKMT2AMEN1

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-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP disclosed