SCHEMBL711633

SCHEMBL711633

Fc1ccc(CNCC2C3CN(Cc4ccc(Oc5ccccc5)cc4)CC23)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
P2RX7 Q99572 2/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MCHR1 Q99705 1/20 0.38
S1PR5 Q9H228 1/20 0.37
CNR2 P34972 1/20 0.37
S1PR1 P21453 1/20 0.36
FAAH O00519 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
MGLL Q99685 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL711002 0.88 DRD4 (0.45) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL712110 0.88 TEAD1 (0.46) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL5511194 0.83 MAPK14 (0.49) DRD4BCHEACHEBACE1KDM4E
SCHEMBL711632 0.82 MCHR1 (0.60) DRD4P2RX7MCHR1S1PR5FAAH
SCHEMBL3773846 0.80 P2RX7 (0.47) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL712501 0.78 P2RX7 (0.43) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL5510202 0.78 JAK2 (0.46) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL3773434 0.78 P2RX7 (0.48) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL5506741 0.76 JAK2 (0.43) P2RX7JAK2JAK1TYK2JAK3
SCHEMBL712568 0.76 BACE1 (0.48) DRD4BCHEACHEBACE1ALDH1A1

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-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed
US-8124639-B2 Bicyclic [3.1.0] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. (US) 2012-02-28 US disclosed