SCHEMBL3660183

SCHEMBL3660183

O=CCCN1CCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CHRM2 P08172 13/20 0.57
CHRM4 P08173 13/20 0.57
CHRM1 P11229 13/20 0.57
CHRM3 P20309 12/20 0.57
USP2 O75604 1/20 0.56
CDK4 P11802 1/20 0.56
ALOX15 P16050 1/20 0.56
CCND1 P24385 1/20 0.56
GAA P10253 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL28003954 0.90 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL7951597 0.84 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL5970702 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL28004430 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL19852195 0.80 DRD3 (0.56) DRD2DRD4DRD3
SCHEMBL20148244 0.80 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL25365620 0.78 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL11784633 0.78 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL11183187 0.78 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL4702671 0.78 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4

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
EP-2205559-A1 RENIN INHIBITORS Cadila Healthcare Limited (IN) 2010-07-14 EP claimed
WO-2009087649-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-07-16 WO claimed