SCHEMBL9385289

SCHEMBL9385289

OCc1ccc(Cn2c(CC3CCN(CCNc4cccnn4)CC3)nc3ccccc32)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ALPL P05186 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL9387266 0.88 NPSR1 (0.36) HRH1KDM4ENPSR1TDP1KMT2A
SCHEMBL9387418 0.83 NOS2 (0.39) HRH1KDM4ENPSR1TDP1POLB
SCHEMBL9536209 0.83 SSTR5 (0.47) HRH1SMN1; SMN2KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL9537265 0.81 SSTR5 (0.46) HRH1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL9386904 0.80 KDM4E (0.42) KDM4EPOLBTSHRKMT2AMEN1
SCHEMBL9382748 0.79 MEN1 (0.50) HRH1KDM4ETDP1TSHRKMT2A
Acetic Acid SCHEMBL9593584 0.75 ALDH1A1 (0.46) KDM4EKMT2AMEN1
SCHEMBL9383332 0.75 KCNH2 (0.44) POLBTSHR
SCHEMBL9536155 0.73 USP2 (0.42) HRH1KDM4ENPSR1TDP1POLB
SCHEMBL8565529 0.73 GRIN2B (0.38) HRH1KDM4ENPSR1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393738-B1 Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA NV (BE) 1994-11-30 EP disclosed
US-5272150-A Hydroxyalkylfuranyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-21 US disclosed