SCHEMBL4436606

SCHEMBL4436606

CN1CCn2cc(OC(=O)O)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HDAC6 Q9UBN7 2/20 0.32
CHRM2 P08172 4/20 0.32
CHRM4 P08173 4/20 0.32
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
P2RX7 Q99572 4/20 0.32
LMNA P02545 1/20 0.30
THRB P10828 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
SCHEMBL3308376 0.76 HDAC6 (0.41) HDAC6CHRM2CHRM4CHRM5CHRM1
SCHEMBL31165594 0.73 LMNA (0.43) HSD17B10HPGDHDAC6CHRM2CHRM4
SCHEMBL31125632 0.72 NAMPT (0.44) HPGDHDAC6P2RX7
SCHEMBL4435022 0.72 TP53 (0.36) HSD17B10TP53HPGDLMNA
SCHEMBL4430930 0.71 TP53 (0.32) HSD17B10TP53HPGD
Lithium Ion SCHEMBL31186072 0.71 HDAC6 (0.40) HDAC6CHRM2CHRM4CHRM5CHRM1
SCHEMBL15062702 0.70 KMT2A (0.36) TP53
SCHEMBL2929727 0.70 SMO (0.49) HSD17B10TP53HPGD
SCHEMBL8011255 0.70 P2RX7 (0.43) CHRM2CHRM3P2RX7
SCHEMBL21018833 0.68 HRH4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed