SCHEMBL5343799

SCHEMBL5343799

Cc1ccc(NC(=O)C(C)C)cc1C1CCN(C(C)c2ccc([S+]([O-])c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.48
ADRA1A P35348 1/20 0.48
OGA O60502 1/20 0.41
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ADRB2 P07550 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACKR3 P25106 1/20 0.37

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
SCHEMBL5388493 0.90 DRD2 (0.40) DRD2ADRA1AOGAACKR3
SCHEMBL5322183 0.88 DRD2 (0.49) DRD2ADRA1AOGAKDM4ERECQL
SCHEMBL5324511 0.87 DRD2 (0.49) DRD2ADRA1AOGAKDM4ERECQL
SCHEMBL4618120 0.86 DRD2 (0.65) DRD2ADRA1A
SCHEMBL5321989 0.81 DRD2 (0.48) DRD2ADRA1AKDM4ERECQLNPSR1
SCHEMBL5327258 0.81 DRD2 (0.46) DRD2ADRA1AOGAKDM4ERECQL
SCHEMBL5390454 0.81 DRD2 (0.55) DRD2ADRA1A
SCHEMBL5324720 0.81 DRD2 (0.47) DRD2ADRA1AKDM4ERECQLNPSR1
SCHEMBL5320284 0.80 DRD2 (0.46) DRD2ADRA1AKDM4ERECQL
SCHEMBL5328372 0.79 DRD2 (0.55) DRD2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO claimed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed