SCHEMBL5328372

SCHEMBL5328372

Cc1ccc(NC(=O)C(C)C)cc1C1CCN(C(C)c2ccc(S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
ADRA1A P35348 3/20 0.55
CHRM2 P08172 2/20 0.41
CCR5 P51681 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1C3 P42330 1/20 0.39
CHRM1 P11229 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL5322183 0.90 DRD2 (0.49) DRD2ADRA1ACHRM2CCR5AKR1C3
SCHEMBL5324921 0.84 ALDH1A1 (0.41) DRD2ADRA1ACHRM2CCR5LMNA
SCHEMBL5328378 0.84 DRD2 (0.63) DRD2ADRA1A
SCHEMBL5394993 0.81 CHRM2 (0.47) DRD2ADRA1ACHRM2CCR5CHRM1
SCHEMBL5321989 0.80 DRD2 (0.48) DRD2ADRA1A
SCHEMBL5324720 0.79 DRD2 (0.47) DRD2ADRA1ALMNA
SCHEMBL4617822 0.79 DRD2 (0.68) DRD2ADRA1A
SCHEMBL5343799 0.79 DRD2 (0.48) DRD2ADRA1A
SCHEMBL5324511 0.79 DRD2 (0.49) DRD2ADRA1A
SCHEMBL5323016 0.78 DRD2 (0.46) DRD2ADRA1ASMN1; SMN2

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 1 patent. 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