SCHEMBL9216971

SCHEMBL9216971

O=C(Cl)CCC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP2C19 P33261 1/20 0.61
FAAH O00519 1/20 0.58
GRIN2B Q13224 10/20 0.58
CYP2D6 P10635 4/20 0.57
CYP2C9 P11712 4/20 0.57
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CHRM4 P08173 2/20 0.54
CYP3A4 P08684 3/20 0.54
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48

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
SCHEMBL7206437 0.93 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL6823133 0.90 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL6948530 0.88 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL15140566 0.88 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL15966296 0.88 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL8553423 0.87 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL9372786 0.87 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL6948532 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL5763722 0.86 BCHE (0.63) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL21553751 0.85 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19FAAH

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
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
EP-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 EP disclosed
EP-0398427-B1 Antirhinoviral pyridazinamines JANSSEN PHARMACEUTICA NV (BE) 1994-03-16 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5112825-A Antirhinoviral heteroamine-substituted pyridazines JANSSEN PHARMACEUTICA N.V. (BE) 1992-05-12 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-0398427-A1 Antirhinoviral pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1990-11-22 EP disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed