SCHEMBL11245385

SCHEMBL11245385

COc1ccc2c(c1)OC1(CCCCC1)CC2NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL11245567 0.93 BACE1 (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11486581 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11287581 0.89 HTR1A (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11254512 0.87 MAOB (0.43) ALDH1A1KDM4EKDM1AMAOAMAOB
SCHEMBL11246927 0.86 BACE1 (0.42) MEN1KMT2AKDM4EMAPTKDM1A
SCHEMBL11258860 0.85 TRPV1 (0.44) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL11472122 0.85 KMT2A (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11255560 0.85 KMT2A (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11486578 0.85 KMT2A (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11241714 0.84 LMNA (0.47) KMT2AKDM4ELMNABACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001428-B1 INSECTICIDAL AND ACARICIDAL AGENTS CONTAINING CHROMAN DERIVATIVES, THEIR PREPARATION AND THEIR USE, AS WELL AS CHROMAN DERIVATIVES AND THEIR PREPARATION BAYER AG (DE) 1982-03-24 EP disclosed
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