SCHEMBL7022671

SCHEMBL7022671

NC[C@H]1CCCCN1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.40
ADRA2C P18825 1/20 0.40
GBA1 P04062 1/20 0.33
HTT P42858 1/20 0.32
ACHE P22303 1/20 0.31
NCF1 P14598 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL3544392 0.94 HTT (0.33) CHRM5ADRA2CGBA1HTTNCF1
SCHEMBL7026183 0.94 HTT (0.33) CHRM5ADRA2CGBA1HTTNCF1
SCHEMBL3934463 0.94 HTT (0.33) CHRM5ADRA2CGBA1HTTNCF1
SCHEMBL11537690 0.92 CHRM5 (0.40) CHRM5ADRA2CGBA1HTTACHE
SCHEMBL10563375 0.92 CHRM5 (0.40) CHRM5ADRA2CGBA1HTTACHE
SCHEMBL4586403 0.90 CHRM5 (0.43) CHRM5ADRA2CGBA1ACHECHRM2
SCHEMBL3504249 0.90 CHRM5 (0.43) CHRM5ADRA2CGBA1ACHECHRM2
SCHEMBL10722386 0.90 CHRM5 (0.43) CHRM5ADRA2CGBA1ACHECHRM2
SCHEMBL28774451 0.80 HTT (0.35) CHRM5ADRA2CHTTNCF1
SCHEMBL10686512 0.79 CHRM5 (0.40) CHRM5ADRA2CGBA1ACHECHRM2

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-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed