SCHEMBL1574151

SCHEMBL1574151

NC1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.56
SIGMAR1 Q99720 2/20 0.54
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
DPP4 P27487 1/20 0.48
GBA1 P04062 1/20 0.47
ACHE P22303 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL2765256 1.00 FUCA1 (0.56) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL2764614 1.00 FUCA1 (0.56) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL4089384 0.89 FUCA1 (0.50) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL16759827 0.87 FUCA1 (0.64) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL16775256 0.87 FUCA1 (0.64) FUCA1SIGMAR1S1PR1S1PR5GBA1
SCHEMBL24893928 0.85 FUCA1 (0.46) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL19327458 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL5836807 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL7575241 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4
SCHEMBL1088536 0.83 FUCA1 (0.60) FUCA1SIGMAR1S1PR1S1PR5DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140085-B1 AZABICYCLOALKANES AS CCR5 MODULATORS PHIVCO UK LTD (GB) 2011-04-13 EP disclosed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 US disclosed
EP-1140085-A1 AZABICYCLOALKANES AS CCR5 MODULATORS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000038680-A1 AZABICYCLOALKANES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2000-07-06 WO disclosed