SCHEMBL9309910

SCHEMBL9309910

CCCCOc1ccc(N2CCN(c3cccc(C)c3)CC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50
KCNH2 Q12809 5/20 0.48
DPP4 P27487 2/20 0.43
ADRB1 P08588 1/20 0.42
DHFR P00374 2/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NLRP3 Q96P20 1/20 0.40
C1S P09871 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PHGDH O43175 1/20 0.38

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
SCHEMBL5088940 0.84 KCNH2 (0.43) RAB9AKCNH2DPP4ADRB1DHFR
SCHEMBL992823 0.83 DPP4 (0.51) RAB9ANPC1KCNH2DPP4ADRB1
SCHEMBL14191682 0.83 HTR2A (0.41) KCNH2MAPTALDH1A1KDM4E
SCHEMBL9310603 0.82 KCNH2 (0.47) RAB9AKCNH2DPP4ADRB1DHFR
SCHEMBL9310505 0.81 DPP4 (0.43) RAB9ANPC1KCNH2DPP4ADRB1
SCHEMBL9310579 0.80 NPC1 (0.45) RAB9ANPC1RECQLMAPTALDH1A1
SCHEMBL9312087 0.78 KCNH2 (0.46) RAB9ANPC1KCNH2DPP4ADRB1
SCHEMBL9311527 0.78 NPC1 (0.45) RAB9ANPC1RECQLDPP4MAPT
SCHEMBL9312009 0.78 MAPT (0.49) RAB9AKCNH2DPP4ADRB1MAPT
SCHEMBL14191683 0.77 FBP1 (0.39) KCNH2DPP4MAPTALDH1A1KDM4E

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
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP disclosed