SCHEMBL8600930

SCHEMBL8600930

O=C(c1cccnc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
GRIN2B Q13224 8/20 0.62
CYP2D6 P10635 4/20 0.62
CYP2C9 P11712 4/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 1/20 0.53
GAA P10253 1/20 0.52
SLC18A3 Q16572 1/20 0.51
OPRK1 P41145 1/20 0.51
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
ENPP2 Q13822 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
SCHEMBL2848087 0.88 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL16655868 0.81 L3MBTL1 (0.57) SMN1; SMN2NPC1CYP2C9CYP2C19KMT2A
SCHEMBL15646467 0.80 SLC18A3 (0.58) KMT2AGAASLC18A3MEN1
SCHEMBL9256664 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2D6CYP2C9
SCHEMBL4063564 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL14335634 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL205216 0.79 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL408202 0.78 GPR119 (0.63) KMT2AGAASLC18A3GPR119
Hydrochloric Acid SCHEMBL3097843 0.78 SMN1; SMN2 (0.97) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL26538149 0.78 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6

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-5719166-A TREATING PSYCHOSES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-02-17 US disclosed
EP-0532177-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5550136-A ANTAGONISTS OF DOPAMINE D-2 RECEPTORS ZENECA LIMITED (GB) 1996-08-27 US disclosed
US-5399568-A Dopamine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-21 US disclosed
EP-0532177-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP disclosed