SCHEMBL27619084

SCHEMBL27619084

Nc1c(Cl)cc(CC(CC(=O)O)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.42
CALCRL Q16602 1/20 0.42
PPARA Q07869 3/20 0.39
AR P10275 2/20 0.36
HDAC1 Q13547 3/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
ADRB2 P07550 1/20 0.34
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DPP4 P27487 1/20 0.33
P2RX7 Q99572 2/20 0.32
OPRK1 P41145 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL4459960 1.00 RAMP1 (0.42) RAMP1CALCRLPPARAARHDAC1
SCHEMBL4459964 1.00 RAMP1 (0.42) RAMP1CALCRLPPARAARHDAC1
SCHEMBL3314145 0.90 RAMP1 (0.40) RAMP1CALCRLPPARAARHDAC1
SCHEMBL3314330 0.85 PPARA (0.38) RAMP1CALCRLPPARAARHDAC1
SCHEMBL3314325 0.85 PPARA (0.38) RAMP1CALCRLPPARAARHDAC1
SCHEMBL3309780 0.82 NAAA (0.40) PPARAARHDAC1GAAMAPT
SCHEMBL3309774 0.82 NAAA (0.40) PPARAARHDAC1GAAMAPT
SCHEMBL6332671 0.82 CPA1 (0.47) PPARA
SCHEMBL28389952 0.82 CPA1 (0.47) PPARA
SCHEMBL28887254 0.82 CPA1 (0.47) PPARA

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
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed