SCHEMBL3973488

SCHEMBL3973488

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.51
CNR2 P34972 11/20 0.47
CNR1 P21554 8/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42

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 0.91 CNR2 (0.60) CNR2CNR1
SCHEMBL3972624 0.84 POLB (0.55) NR4A2LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3995883 0.84 CNR2 (0.55) CNR2CNR1LMNAALDH1A1SMN1; SMN2
SCHEMBL13806412 0.84 CNR2 (0.47) CNR2CNR1ALDH1A1SMN1; SMN2
SCHEMBL3981980 0.84 CNR1 (0.56) CNR2CNR1LMNASMN1; SMN2L3MBTL1
SCHEMBL3990432 0.82 CNR2 (0.53) CNR2CNR1
SCHEMBL3975404 0.82 CREBBP (0.45) ALDH1A1KMT2APOLB
SCHEMBL3993831 0.81 NTRK1 (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL3986991 0.81 CNR2 (0.47) CNR2CNR1
SCHEMBL3980644 0.80 ALDH1A1 (0.48) CNR2CNR1LMNAALDH1A1SMN1; SMN2

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