SCHEMBL4720816

SCHEMBL4720816

NC(=O)[C@H]1CC(N2CCC2)CCN1C(=O)[CH]Cc1cc(Cl)c(N)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.35
CALCRL Q16602 1/20 0.35
ADRB2 P07550 2/20 0.33
TACR1 P25103 2/20 0.32
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
OPRK1 P41145 2/20 0.30
XIAP P98170 1/20 0.30
RORC P51449 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL4718767 0.79 ADRB2 (0.37) RAMP1CALCRLADRB2TACR1XIAP
SCHEMBL4720727 0.79 ADRB2 (0.37) RAMP1CALCRLADRB2TACR1XIAP
SCHEMBL5248989 0.78 RAMP1 (0.42) RAMP1CALCRLADRB2CCR2KCNH2
SCHEMBL4849662 0.77 RAMP1 (0.41) RAMP1CALCRLADRB2LRRK2
SCHEMBL4763044 0.75 NOTUM (0.34)
SCHEMBL5658670 0.71 CALCRL (0.35) CALCRL
SCHEMBL5326014 0.70 ACACB (0.35) RAMP1CALCRL
SCHEMBL4720819 0.70 RAMP1 (0.50) RAMP1CALCRLADRB2LRRK2
SCHEMBL4804839 0.69 TEAD1 (0.39) RAMP1CALCRLADRB2
SCHEMBL4798589 0.69 TEAD1 (0.36) RAMP1CALCRLADRB2CCR2KCNH2

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-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed