SCHEMBL10654773

SCHEMBL10654773

c1cnc2c(OCCN3CCCC3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 3/20 0.54
ADRB2 P07550 1/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2C P28335 1/20 0.53
HTR1F P30939 1/20 0.53
HTR7 P34969 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
HTR5A P47898 1/20 0.53
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL1101107 0.99 RAB9A (0.55) RAB9AMAPTLMNASMN1; SMN2TDP1
SCHEMBL2485756 0.93 TDP1 (0.58) RAB9AMAPTLMNASMN1; SMN2TDP1
SCHEMBL2483050 0.92 TDP1 (0.64) RAB9AMAPTLMNASMN1; SMN2TDP1
SCHEMBL1101056 0.92 HRH3 (0.58) RAB9AMAPTLMNASMN1; SMN2TDP1
SCHEMBL2486394 0.90 HRH3 (0.64) RAB9AMAPTLMNASMN1; SMN2TDP1
SCHEMBL1100987 0.87 PIK3CD (0.53) RAB9AMAPTLMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1101288 0.86 PIK3CD (0.52) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL10656768 0.81 HTR7 (0.62) HTR1ADRD2HTR2CHTR7DRD3
SCHEMBL4141493 0.81 TDP1 (0.56) LMNASMN1; SMN2TDP1ADRB2HTR1A
SCHEMBL2486100 0.81 RAB9A (0.52) RAB9AMAPTLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP claimed
US-4735943-A VASODILATORS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1988-04-05 US disclosed
EP-0168197-A2 Eburnamonine oxime derivatives and their preparation and pharmaceutical compositions containing them SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1986-01-15 EP disclosed