SCHEMBL17185036

SCHEMBL17185036

O=c1c2ccc(Br)cc2ccn1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.43
▸ DHODH Q02127 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ HTR7 P34969 5/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ GRM1 Q13255 2/20 0.33
▸ IL4I1 Q96RQ9 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL22747759 0.94 GRM4 (0.40) GRM4DHODHPOLBERN1HTR7
SCHEMBL25150811 0.82 KDM4E (0.34) GRM4POLBMEN1KMT2ASIRT1
SCHEMBL18284018 0.81 CHRNA7 (0.39) GRM4POLBHTR7MEN1MAPT
SCHEMBL25150792 0.80 GRM4 (0.34) GRM4POLBMEN1KMT2A
SCHEMBL30186793 0.76 FPR2 (0.46) MAPT
SCHEMBL30398712 0.76 FPR2 (0.49) MEN1MAPTKMT2A
SCHEMBL18296156 0.76 FPR2 (0.49) MEN1MAPTKMT2A
SCHEMBL31559661 0.75 PSMB1 (0.36) DHODHKMT2A
SCHEMBL15263578 0.74 MPI (0.52) GRM4MEN1MAPTKMT2AGRM1
SCHEMBL18939739 0.74 HTR7 (0.49) HTR7HTR6

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
WO-2015161011-A1 BENZAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-22 — — WO disclosed
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