SCHEMBL11065103

SCHEMBL11065103

COc1cccc2c(OC3CCN(CCC(=O)c4ccc(Cl)cc4)CC3)cccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.51
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
HTR1A P08908 6/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 2/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL11065682 0.99 KMT2A (0.51) SOD1KMT2AALDH1A1MAPTHTR1A
SCHEMBL11068893 0.91 ALDH1A1 (0.52) KMT2AALDH1A1MAPTHTR1AHTT
SCHEMBL11066025 0.81 HTR1A (0.50) KMT2AALDH1A1HTR1ATSHRDRD2
SCHEMBL11362858 0.81 MAPT (0.53) SOD1KMT2AALDH1A1MAPTHTR1A
SCHEMBL11068301 0.73 MEN1 (0.54) KMT2AHTR1ATSHRDRD2MEN1
SCHEMBL11073463 0.73 KCNH2 (0.55) ALDH1A1HTR1ALMNASIGMAR1
SCHEMBL11068915 0.73 DRD2 (0.60) KMT2AALDH1A1HTR1ALMNATSHR
SCHEMBL11075146 0.73 SMN1; SMN2 (0.62) KMT2ASIGMAR1MEN1POLB
Hydrochloric Acid SCHEMBL11066446 0.72 DRD2 (0.59) KMT2AALDH1A1HTR1ALMNATSHR
Hydrochloric Acid SCHEMBL11066381 0.72 SMN1; SMN2 (0.64) KMT2ASIGMAR1MEN1POLB

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
US-4443462-A Antipsychotic 4-(naphthalenyloxy)piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1984-04-17 US disclosed