SCHEMBL9739779

SCHEMBL9739779

CN(C)c1ccc2c(c1)CCN(CC1CCCN(CCc3ccccc3)C1)C(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
KCNH2 Q12809 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL9739292 0.87 HCN4 (0.51) KCNH2KMT2AMEN1
SCHEMBL9739773 0.86 SIGMAR1 (0.48) LTA4HEPHX2KCNH2KMT2AMEN1
SCHEMBL9739940 0.86 CCR2 (0.47) CCR2LTA4HEPHX2KCNH2CARM1
SCHEMBL9740942 0.84 CCR2 (0.52) CCR2LTA4HEPHX2KCNH2
SCHEMBL9740516 0.84 PKM (0.42) CCR2LTA4HEPHX2KCNH2
SCHEMBL9740561 0.84 CHRNB2 (0.49) CCR2LTA4HEPHX2KMT2AMEN1
Hydrochloric Acid SCHEMBL9739064 0.83 CHRNB2 (0.48) CCR2KMT2AMEN1
SCHEMBL9746442 0.81 CHRNB2 (0.46)
SCHEMBL9739855 0.81 CHRNB2 (0.46) CCR2LTA4HEPHX2KMT2AMEN1
SCHEMBL9739409 0.80 CHRNB2 (0.47) CCR2LTA4HEPHX2

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed