SCHEMBL9538982

SCHEMBL9538982

CN1CCN(C(=N)Nc2ccccc2-c2ccccc2F)CC1.N=C(Nc1ccccc1-c1ccccc1F)N1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.47
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL9059576 0.93 CHRM3 (0.44) CHRM3ALDH1A1KMT2A
SCHEMBL9059409 0.92 CHRM3 (0.47) CHRM3KDM1AMAOAMAOBKDM4E
Fumaric Acid SCHEMBL9312680 0.84 KDM4E (0.45) CHRM3KDM4EALDH1A1KMT2A
Fumaric Acid SCHEMBL9311361 0.83 CHRM3 (0.46) CHRM3KDM1AMAOAMAOBKDM4E
SCHEMBL9059607 0.79 CHRM3 (0.47) CHRM3ALDH1A1KMT2A
SCHEMBL9059897 0.79 ALDH1A1 (0.49) CHRM3KDM4EALDH1A1KMT2A
SCHEMBL9059781 0.77 CHRM3 (0.53) CHRM3KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL9059673 0.76 CHRM3 (0.49) CHRM3ALDH1A1KMT2A
SCHEMBL9059856 0.75 CHRM3 (0.53) CHRM3KDM1AMAOAMAOBKDM4E
SCHEMBL9536114 0.73 CHRM3 (0.47) CHRM3KDM4EALDH1A1KMT2A

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-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed