SCHEMBL6016971

SCHEMBL6016971

CN(CC(=O)NC1CCCC1)c1[c]c(Cl)nc(Cc2ccc(NC(=O)c3cccc4ccccc34)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACKR3 P25106 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
DRD4 P21917 6/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SSTR3 P32745 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL5961338 0.88 TBXA2R (0.40) HDAC1HDAC6MEN1KMT2AACKR3
SCHEMBL5961320 0.86 EPHX1 (0.41) MEN1KMT2ADRD4NPC1RAB9A
SCHEMBL6016947 0.86 KMT2A (0.41) MEN1KMT2AACKR3NR1H4DRD4
SCHEMBL5961345 0.85 ACKR3 (0.42) HDAC1HDAC6MEN1KMT2AACKR3
SCHEMBL6017031 0.85 GAA (0.42) HDAC1HDAC6ACKR3PTGDR2NPC1
SCHEMBL5961329 0.85 RAB9A (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5961316 0.84 EPHX1 (0.42)
SCHEMBL5961348 0.84 HDAC1 (0.43) HDAC1HDAC6MEN1KMT2AACKR3
SCHEMBL5961317 0.82 EPHX2 (0.41) MEN1KMT2AACKR3NPC1RAB9A
SCHEMBL6016968 0.82 ACKR3 (0.40) MEN1KMT2AACKR3LMNAGAA

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-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP disclosed