SCHEMBL6977436

SCHEMBL6977436

c1ccc(C[C]2CCCNC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR2B P41595 4/20 0.43
HTR2A P28223 3/20 0.43
CALM1 P0DP23 1/20 0.41
HRH1 P35367 2/20 0.40
GBA1 P04062 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL5172972 0.88 CALM1 (0.44) HTR2CHTR2BHTR2ACALM1HRH1
SCHEMBL2045801 0.77 CALM1 (0.55) CALM1HRH1LMNA
SCHEMBL1829354 0.77 CALM1 (0.55) CALM1TAAR1
SCHEMBL6604926 0.75 HTR2C (0.50) HTR2CHTR2BHTR2ACALM1HRH1
SCHEMBL2051544 0.74 CALM1 (0.52) CALM1HRH1
SCHEMBL6586984 0.74 CALM1 (0.52) CALM1HRH1
SCHEMBL1829180 0.74 CALM1 (0.52) CALM1HRH1
Diphenylmethane SCHEMBL27486979 0.72 CALM1 (0.50) CALM1HRH1GBA1TAAR1
SCHEMBL2973782 0.71 CALM1 (0.61) HTR2ACALM1LMNACYP1A2ADRA2A
SCHEMBL14704890 0.70 SIGMAR1 (0.43) HTR2CHTR2BHTR2ACALM1HRH1

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
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP disclosed