SCHEMBL10632091

SCHEMBL10632091

NCCCNc1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 3/20 0.46
GBA1 P04062 1/20 0.46
SSTR4 P31391 1/20 0.46
STK17A Q9UEE5 2/20 0.45
STK17B O94768 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL1060108 0.89 NPC1 (0.49) RAB9ANPC1SMN1; SMN2PKMGBA1
SCHEMBL15458155 0.84 NPC1 (0.47) RAB9ANPC1SMN1; SMN2PKMGBA1
SCHEMBL22795638 0.82 RAB9A (0.61) RAB9ANPC1SMN1; SMN2PKMGBA1
SCHEMBL28152938 0.82 RAB9A (0.50) RAB9ANPC1SMN1; SMN2PKMGBA1
SCHEMBL7150739 0.81 HCAR3 (0.59) RAB9ANPC1SMN1; SMN2PKMGBA1
SCHEMBL15828788 0.80 NPC1 (0.48) RAB9ANPC1SMN1; SMN2PKMGBA1
SCHEMBL10737266 0.79 HRH3 (0.47) HRH3RAB9AMEN1KMT2AMAPT
SCHEMBL10736213 0.79 STK17A (0.51) HRH3SMN1; SMN2STK17ASTK17BKMT2A
SCHEMBL21512515 0.78 EGFR (0.50) RAB9ANPC1SMN1; SMN2PKMGBA1
SCHEMBL29969091 0.78 EGFR (0.50) RAB9ANPC1SMN1; SMN2PKMGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4771058-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-09-13 US disclosed
EP-0113572-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-02-03 EP disclosed
EP-0112707-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H1-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-04 EP disclosed
US-4652650-A Pyridylaminoalkylamine intermediates SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-24 US disclosed
EP-0206623-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-12-30 EP disclosed
US-4548940-A Pyridylaminoalkylaminopyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-22 US disclosed
US-4547506-A 2-Pyridylaminoakylamino-4-pyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-15 US disclosed
EP-0113572-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-18 EP disclosed
EP-0112707-A2 Aminopyrimidinone derivatives as histamine H1-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 EP disclosed