SCHEMBL6007510

SCHEMBL6007510

CC(C)(C)c1ccc(CC(N)CCN2CCC(C(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 2/20 0.45
CCR5 P51681 3/20 0.44
KCNH2 Q12809 3/20 0.44
CACNA1I Q9P0X4 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
EGFR P00533 2/20 0.43
LMNA P02545 2/20 0.43
FYN P06241 2/20 0.43
CHRM2 P08172 2/20 0.43
ABCB1 P08183 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
CHRM1 P11229 2/20 0.43
ADRB3 P13945 2/20 0.43
DRD2 P14416 2/20 0.43
ADRA2C P18825 2/20 0.43
TACR2 P21452 2/20 0.43

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
SCHEMBL6007996 0.87 MEN1 (0.55) CYP2J2KCNH2MEN1KMT2ANPC1
SCHEMBL6008665 0.82 PRMT6 (0.52) KCNH2ADRA1DADRA1AADRA1B
SCHEMBL7238102 0.81 MEN1 (0.62) KCNH2MEN1KMT2ACHRM2CHRM3
SCHEMBL6009309 0.79 SLC6A4 (0.50) MEN1KMT2ACHRM2SLC6A2HTR2A
SCHEMBL6007331 0.77 CCR5 (0.52) CCR5HTR2AS1PR5
SCHEMBL6009242 0.76 MEN1 (0.57) CYP2J2KCNH2MEN1KMT2ASLC6A2
SCHEMBL6007451 0.76 MEN1 (0.57) CYP2J2KCNH2MEN1KMT2ASLC6A2
SCHEMBL4642263 0.71 EPHX1 (0.57) KCNH2MEN1KMT2ATACR2SLC6A2
SCHEMBL6009487 0.70 GRIN2D (0.56) MEN1KMT2ASLC6A2ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL6009329 0.70 GRIN2D (0.55) MEN1KMT2ALMNASLC6A2ADRA1D

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 1 patent. 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 disclosed