SCHEMBL9211798

SCHEMBL9211798

COc1ccc(N2CCC(CCO)CC2)nn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
LCAT P04180 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
GLS O94925 1/20 0.41
MAPT P10636 1/20 0.40
TACR3 P29371 1/20 0.39
PDE9A O76083 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SCD O00767 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9219556 0.88 HRH3 (0.50) HRH3LCATMEN1KMT2ASMN1; SMN2
SCHEMBL9216486 0.86 HRH3 (0.46) HRH3LCATMEN1KMT2ASMN1; SMN2
SCHEMBL1562375 0.84 MAPT (0.43) MEN1KMT2ASMN1; SMN2ITGB2ICAM1
Hydrochloric Acid SCHEMBL9216507 0.82 HRH3 (0.43) HRH3LCATMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9221539 0.81 HRH3 (0.46) HRH3LCATMEN1KMT2ASMN1; SMN2
SCHEMBL5884802 0.79 LMNA (0.58) MEN1KMT2ASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL2004943 0.76 HRH3 (0.49) HRH3LCATMEN1KMT2ASMN1; SMN2
SCHEMBL20046195 0.76 SCD (0.48) SCD
SCHEMBL16769737 0.75 MEN1 (0.56) HRH3LCATMEN1KMT2ASMN1; SMN2
SCHEMBL321187 0.75 LMNA (0.65) HRH3LCATMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed