SCHEMBL9723311

SCHEMBL9723311

O=C=NCCN1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM4 P08173 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIK3CD O00329 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
APEX1 P27695 2/20 0.40
PMP22 Q01453 2/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL11479589 0.81 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL4396518 0.80 PIK3CD (0.48) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL261644 0.77 PIK3CD (0.58) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL28383074 0.77 PIK3CD (0.46) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL17599243 0.75 SMN1; SMN2 (0.41) CYP2C9CYP2C19ALDH1A1
SCHEMBL21052112 0.75 CHRM2 (0.47) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL5008301 0.74 KMT2A (0.42) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL5424673 0.73 PIK3CD (0.54) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL4394145 0.73 KMT2A (0.47) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL18952994 0.72 CHRM2 (0.34) CHRM2CHRM5CHRM1CHRM3CHRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162530-A Hydrophilic modifier monomers CIBA-GEIGY CORPORATION (US) 1992-11-10 US disclosed
US-5053515-A Glutarimido and succinimido derivatives CIBA-GEIGY CORPORATION (US) 1991-10-01 US disclosed
US-4921956-A Hydrophilic modifier monomers CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
EP-0331633-A2 Hydrophilic modifier monomers CIBA-GEIGY AG (CH) 1989-09-06 EP disclosed
US-4859780-A Hydrophilic modifier monomers CIBA-GEIGY CORPORATION (US) 1989-08-22 US disclosed