SCHEMBL2547787

SCHEMBL2547787

C1CN(C2CCN(CC3CC3)CC2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
HTR6 P50406 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRL1 P41146 3/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
GBA1 P04062 1/20 0.34
CCR5 P51681 1/20 0.34
JAK1 P23458 1/20 0.33
POLB P06746 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33

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
SCHEMBL25815809 0.89 HTR6 (0.40) CHRM5ADRA2CHPGDKMT2ASMN1; SMN2
SCHEMBL24480842 0.88 KMT2A (0.40) CHRM5ADRA2CHPGDKMT2ASMN1; SMN2
SCHEMBL3309077 0.84 CHRM5 (0.39) CHRM5ADRA2CHPGDKMT2ASMN1; SMN2
SCHEMBL25820816 0.84 ACHE (0.41) HPGDKMT2ASMN1; SMN2ACHEHTR6
SCHEMBL25815386 0.84 SMN1; SMN2 (0.34) HPGDKMT2ASMN1; SMN2ACHEHTR6
SCHEMBL24196541 0.83 CHRM5 (0.48) CHRM5ADRA2CSMN1; SMN2ACHEHTR6
SCHEMBL24480965 0.83 KMT2A (0.39) CHRM5ADRA2CKMT2AACHEOPRM1
SCHEMBL92626 0.83 CHRM5 (0.48) CHRM5ADRA2CSMN1; SMN2ACHESIGMAR1
SCHEMBL20873850 0.83 CHRM5 (0.48) CHRM5ADRA2CSMN1; SMN2ACHESIGMAR1
SCHEMBL2912326 0.83 CHRM5 (0.48) CHRM5ADRA2CSMN1; SMN2ACHESIGMAR1

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
WO-2011121223-A1 6-(ALKYL- OR CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLE DERIVATIVES: PREPARATION, APPLICATION AS MEDICAMENTS AND USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-06 WO disclosed