SCHEMBL11488404

SCHEMBL11488404

CCN(CC)CCNC1CC2(CCCC2)Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 8/20 0.41
OPRD1 P41143 4/20 0.39
CYP2D6 P10635 3/20 0.39
KCNH2 Q12809 3/20 0.39
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL11244401 0.84 KMT2A (0.45) KMT2ATRPV1OPRD1CYP2D6KCNH2
SCHEMBL11271692 0.83 KMT2A (0.49) KMT2ATRPV1OPRD1CYP2D6KCNH2
SCHEMBL11245898 0.83 KMT2A (0.43) KMT2ATRPV1OPRD1CYP2D6KCNH2
SCHEMBL11253499 0.81 KMT2A (0.44) KMT2ATRPV1OPRD1CYP2D6KCNH2
SCHEMBL11253460 0.81 KMT2A (0.44) KMT2ATRPV1OPRD1CYP2D6KCNH2
SCHEMBL11244375 0.81 KMT2A (0.44) KMT2ATRPV1OPRD1CYP2D6KCNH2
SCHEMBL11251510 0.81 KMT2A (0.44) KMT2ATRPV1OPRD1CYP2D6KCNH2
SCHEMBL11481865 0.81 KMT2A (0.43) KMT2ATRPV1OPRD1BACE1CTSD
SCHEMBL11282992 0.80 KMT2A (0.44) KMT2ATRPV1OPRD1BACE1CTSD
SCHEMBL11291814 0.79 LMNA (0.48) KMT2ATRPV1OPRD1BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238501-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4237162-A MITICIDES, LARVACIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
EP-0001428-A1 Insecticidal and acaricidal agents containing chroman derivatives, their preparation and their use, as well as chroman derivatives and their preparation BAYER AG (DE) 1979-04-18 EP disclosed