SCHEMBL9530101

SCHEMBL9530101

CCCCCN1CCCC(CNc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.48
KCNH2 Q12809 7/20 0.48
SIGMAR1 Q99720 2/20 0.45
KDM2B Q8NHM5 1/20 0.44
LTA4H P09960 1/20 0.42
CAMK2D Q13557 1/20 0.41

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
Hydrochloric Acid SCHEMBL9532042 0.99 CCR2 (0.47) CCR2KCNH2SIGMAR1KDM2BLTA4H
SCHEMBL9699172 0.82 CCR3 (0.43)
Hydrochloric Acid SCHEMBL9527656 0.81 CCR3 (0.42)
Hydrochloric Acid SCHEMBL9527122 0.81 SIGMAR1 (0.51) CCR2KCNH2SIGMAR1KDM2B
1,2-Dichlorobenzene SCHEMBL27524525 0.79 CARM1 (0.47) KCNH2KDM2B
SCHEMBL9696871 0.77 KDM4E (0.50) SIGMAR1KDM2B
Hydrochloric Acid SCHEMBL27357671 0.76 KDM4E (0.49) SIGMAR1KDM2B
SCHEMBL9368885 0.75 SIGMAR1 (0.54) KCNH2SIGMAR1
SCHEMBL1565984 0.74 MEN1 (0.45) CCR2KCNH2
Oxalic Acid SCHEMBL9697739 0.72 KDM4E (0.63)

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-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed
WO-1992002501-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO claimed