SCHEMBL6007453

SCHEMBL6007453

Clc1ccc(CC(CN2CCC(Cc3ccccc3)CC2)NCc2ccccc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
ATM Q13315 3/20 0.49
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47
CCR3 P51677 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL6007980 0.88 CARM1 (0.52) ALDH1A1ATMGRIN2DGRIN3BADRA1D
SCHEMBL6008656 0.85 ALDH1A1 (0.47) ALDH1A1ATMGRIN2DGRIN3BADRA1D
SCHEMBL6008676 0.83 CCR3 (0.61) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL6008834 0.83 SIGMAR1 (0.56) ALDH1A1ATMGRIN2DGRIN3BADRA1D
SCHEMBL6009428 0.82 ALDH1A1 (0.53) ALDH1A1ATMGRIN2DGRIN3BADRA1D
Hydrochloric Acid SCHEMBL6007421 0.81 ALDH1A1 (0.52) ALDH1A1ATMGRIN2DGRIN3BADRA1D
Hydrochloric Acid SCHEMBL5758289 0.76 PRMT6 (0.60) ALDH1A1ATMCCR3CARM1PRMT6
SCHEMBL4773918 0.76 SLC6A2 (0.55) CCR3CARM1PRMT6SLC6A2SLC6A4
SCHEMBL6008203 0.74 SIGMAR1 (0.50) ALDH1A1ATMCCR3MEN1KMT2A
SCHEMBL6007913 0.72 CARM1 (0.49) ALDH1A1ATMCCR3CARM1PRMT6

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-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US claimed
US-7078537-B2 Phenylalkyl diamine and amide analogs SK CORPORATION (KR) 2006-07-18 US disclosed