SCHEMBL7978255

SCHEMBL7978255

NCCN1CCC(NC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.51
PRMT6 Q96LA8 3/20 0.51
PRMT3 O60678 1/20 0.51
PRMT1 Q99873 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
CHRM1 P11229 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNA3 P22001 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
HTT P42858 1/20 0.42
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL6617262 0.91 SIGMAR1 (0.48) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL1808554 0.85 DRD2 (0.54) CARM1PRMT6SLC6A2SLC6A4CHRM1
SCHEMBL6622326 0.79 SIGMAR1 (0.39) SIGMAR1CYP2D6CHRM3
SCHEMBL7978211 0.78 KDM1A (0.59) HTT
SCHEMBL7754129 0.76 CARM1 (0.55) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL15702621 0.74 BCHE (0.61) SLC6A2SLC6A4CHRM1SLC6A3SIGMAR1
SCHEMBL24076360 0.74 HTR2A (0.71) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL15702652 0.73 ACHE (0.62) SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL7978284 0.73 CARM1 (0.51) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL7976350 0.73 CHRM2 (0.65) CARM1PRMT6PRMT3PRMT1PRMT8

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
US-6255323-B1 Cyanoguanidine compounds SHIONOGI BIORESEARCH CORP. 2001-07-03 US disclosed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed