SCHEMBL3981980

SCHEMBL3981980

COC(=O)CCn1cc(C(=O)c2cc(Cl)ncn2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.56
CNR2 P34972 6/20 0.56
CREBBP Q92793 2/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3990809 0.86 CNR2 (0.60) CNR1CNR2
SCHEMBL3995883 0.86 CNR2 (0.55) CNR1CNR2TSHRL3MBTL1MAPT
SCHEMBL3973488 0.84 NR4A2 (0.51) CNR1CNR2L3MBTL1SMN1; SMN2LMNA
SCHEMBL3980644 0.82 ALDH1A1 (0.48) CNR1CNR2GAATSHRL3MBTL1
SCHEMBL13806412 0.82 CNR2 (0.47) CNR1CNR2SMN1; SMN2
SCHEMBL3990432 0.80 CNR2 (0.53) CNR1CNR2
SCHEMBL3972624 0.80 POLB (0.55) MAPTSMN1; SMN2LMNAPOLB
SCHEMBL3986991 0.79 CNR2 (0.47) CNR1CNR2
SCHEMBL3995341 0.78 CNR2 (0.48) CNR1CNR2
SCHEMBL3993924 0.77 CNR2 (0.57) CNR1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed