SCHEMBL8486348

SCHEMBL8486348

Cc1ccc(CN2CCN(c3nccc4ccccc34)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.60
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
HTR2C P28335 1/20 0.53
SORD Q00796 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 1/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
PHGDH O43175 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HIF1A Q16665 2/20 0.49
MEN1 O00255 1/20 0.49
NR2F2 P24468 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47

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
Oxalic Acid SCHEMBL8123092 0.93 HRH4 (0.53) HRH4LMNAPOLBHTR2CSORD
SCHEMBL6232120 0.89 HRH4 (0.62) HRH4LMNAHTR2CSORDACHE
SCHEMBL8134359 0.88 MEN1 (0.58) HRH4LMNAHTR2CSORDACHE
SCHEMBL3684916 0.87 KDM4E (0.59) HRH4LMNAHTR2CSORDACHE
Hydrochloric Acid SCHEMBL31587046 0.85 HRH4 (0.55) HRH4LMNAHTR2CSORDACHE
SCHEMBL8124752 0.85 KMT2A (0.57) HRH4LMNAHTR2CSORDACHE
Hydrochloric Acid SCHEMBL8110649 0.84 KMT2A (0.56) HRH4LMNAHTR2CSORDACHE
Oxalic Acid SCHEMBL8149109 0.82 HRH4 (0.51) HRH4LMNAHTR2CSORDACHE
SCHEMBL8118469 0.81 HRH4 (0.53) HRH4LMNAHTR2CSORDALDH1A1
SCHEMBL8130723 0.81 SIGMAR1 (0.58) HRH4LMNAHTR2CSORDACHE

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-6008352-A USEFUL IN TREATING PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES NEUROGEN CORPORATION (US) 1999-12-28 US claimed