SCHEMBL5322183

SCHEMBL5322183

Cc1ccc(NC(=O)C(C)C)cc1C1CCN(C(C)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
ADRA1A P35348 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 1/20 0.48
OGA O60502 1/20 0.42
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
ADRB2 P07550 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCL2L1 Q07817 1/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL5328372 0.90 DRD2 (0.55) DRD2ADRA1ACHRM2CHRM1AKR1C3
SCHEMBL5394993 0.90 CHRM2 (0.47) DRD2ADRA1ACHRM2CHRM1OGA
SCHEMBL5343799 0.88 DRD2 (0.48) DRD2ADRA1AOGAKDM4ERECQL
SCHEMBL5324511 0.88 DRD2 (0.49) DRD2ADRA1AOGAKDM4ERECQL
SCHEMBL4615593 0.85 DRD2 (0.66) DRD2ADRA1A
SCHEMBL5322187 0.83 DRD2 (0.57) DRD2ADRA1A
SCHEMBL5321989 0.82 DRD2 (0.48) DRD2ADRA1AKDM4ERECQLNPSR1
SCHEMBL5390454 0.82 DRD2 (0.55) DRD2ADRA1A
SCHEMBL5327258 0.82 DRD2 (0.46) DRD2ADRA1AOGAKDM4ERECQL
SCHEMBL5324720 0.81 DRD2 (0.47) DRD2ADRA1AKDM4ERECQLNPSR1

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