SCHEMBL2178068

SCHEMBL2178068

COc1cccc(CCCC(C#N)C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
TAAR1 Q96RJ0 3/20 0.53
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
SIGMAR1 Q99720 2/20 0.48
AOC3 Q16853 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
IDO1 P14902 1/20 0.45
AGXT P21549 1/20 0.45

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
SCHEMBL8928219 0.83 CHRM2 (0.58) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL14668122 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL1442239 0.81 TAAR1 (0.62) CHRM2CHRM1CHRM3TAAR1SIGMAR1
SCHEMBL21002162 0.80 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL29986862 0.80 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002016 0.80 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002124 0.78 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL27339567 0.77 CHRM2 (0.55) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL723511 0.76 TAAR1 (0.77) CHRM2CHRM1CHRM3TAAR1SIGMAR1
SCHEMBL30080050 0.76 TAAR1 (0.77) CHRM2CHRM1CHRM3TAAR1SIGMAR1

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
WO-2011092719-A2 PROCESS FOR THE PREPARATION OF L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed
WO-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed