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SCHEMBL5327258

SCHEMBL5327258

Cc1ccc(NC(=O)C(C)C)cc1C1CCN(C(C)c2ccc(Sc3ccc(Cl)cc3Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ITGAL P20701 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ OGA O60502 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL5324511 0.91 DRD2 (0.49) DRD2ADRA1AKDM4ERECQLOGA
SCHEMBL5320284 0.87 DRD2 (0.46) DRD2ADRA1AKDM4ERECQLALDH1A1
SCHEMBL5323016 0.85 DRD2 (0.46) DRD2ADRA1AALDH1A1HTT
SCHEMBL5320467 0.85 DRD2 (0.44) DRD2ADRA1AKDM4ERECQLALDH1A1
SCHEMBL5327261 0.85 DRD2 (0.53) DRD2ADRA1A
SCHEMBL5321989 0.84 DRD2 (0.48) DRD2ADRA1AKDM4ERECQLNPSR1
SCHEMBL5390454 0.83 DRD2 (0.55) DRD2ADRA1A
SCHEMBL5324720 0.83 DRD2 (0.47) DRD2ADRA1AKDM4ERECQLNPSR1
SCHEMBL5322183 0.82 DRD2 (0.49) DRD2ADRA1AKDM4ERECQLOGA
SCHEMBL5322375 0.82 DRD2 (0.41) DRD2ADRA1AOGAALDH1A1

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