SCHEMBL7675246

SCHEMBL7675246

CN(C)CCC1(C#N)c2ccccc2CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
CYP2D6 P10635 4/20 0.48
CCR1 P32246 4/20 0.43
SLC6A4 P31645 5/20 0.39
MAPT P10636 4/20 0.39
SLC6A2 P23975 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SLC22A1 O15245 3/20 0.39
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
HTR1A P08908 3/20 0.39
CHRM5 P08912 3/20 0.39
ADORA3 P0DMS8 3/20 0.39
CHRM1 P11229 3/20 0.39
DRD2 P14416 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
CHRM3 P20309 3/20 0.39
DRD1 P21728 3/20 0.39
HRH2 P25021 3/20 0.39

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
SCHEMBL11274934 0.83 CCR1 (0.48) LMNACYP2D6CCR1SLC6A4SLC6A2
SCHEMBL13867524 0.82 LMNA (0.52) LMNACYP2D6CCR1SLC6A4MAPT
SCHEMBL9469648 0.79 SLC6A4 (0.43) LMNACYP2D6CCR1SLC6A4SLC6A2
SCHEMBL9426817 0.79 CCR1 (0.45) LMNACCR1ALDH1A1CHRM2HTR2A
SCHEMBL8255534 0.79 CCR1 (0.45) LMNACYP2D6CCR1ALDH1A1CHRM2
SCHEMBL8251316 0.79 CCR1 (0.45) LMNACCR1ALDH1A1HTR2ARET
SCHEMBL13548795 0.78 CCR1 (0.44) LMNACYP2D6CCR1MAPTALDH1A1
SCHEMBL9845104 0.76 CCR1 (0.52) LMNACYP2D6CCR1ALDH1A1HTR2A
SCHEMBL13552352 0.76 CCR1 (0.44) LMNACCR1ALDH1A1CHRM2HTR2A
SCHEMBL11271288 0.76 CCR1 (0.52) LMNACYP2D6CCR1SLC6A4SLC6A2

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-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed