SCHEMBL9216486

SCHEMBL9216486

COc1ccc(N2CCC(CCCl)CC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
LCAT P04180 2/20 0.40
TACR3 P29371 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SCD O00767 1/20 0.36
GLS O94925 1/20 0.36
CHRM4 P08173 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35

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 SCHEMBL9216507 0.91 HRH3 (0.43) HRH3MEN1KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9221539 0.87 HRH3 (0.46) HRH3MEN1KMT2ASMN1; SMN2LCAT
SCHEMBL9211798 0.86 HRH3 (0.48) HRH3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1562360 0.84 MAPT (0.43) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL9219556 0.82 HRH3 (0.50) HRH3MEN1KMT2ASMN1; SMN2LCAT
SCHEMBL9200711 0.81 LMNA (0.56) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL9445115 0.76 CYP1A2 (0.58) MEN1KMT2ASMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL2004943 0.76 HRH3 (0.49) HRH3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9200293 0.75 NR1I2 (0.40) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL9214199 0.75 OGA (0.39) MEN1KMT2ASMN1; SMN2MAPTLMNA

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