SCHEMBL11436980

SCHEMBL11436980

CCCN(CCNCCc1ccc(OC)cc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.51
▸ DRD3 P35462 5/20 0.51
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ CCR3 P51677 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMPD1 P17405 1/20 0.41

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
SCHEMBL11435156 0.91 HTT (0.45) DRD2DRD3HTTALDH1A1ADRA1D
SCHEMBL11430223 0.84 BCHE (0.51) —
SCHEMBL11441543 0.84 HTT (0.47) HTTALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL11429433 0.81 ADRA1D (0.46) HTTADRA1DADRA1AADRA1BSMPD1
SCHEMBL11442329 0.81 MAPT (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29336126 0.79 DRD2 (0.58) DRD2DRD3DRD4
SCHEMBL11441561 0.77 KDM4E (0.46) DRD2DRD3HTTADRA1DADRA1A
SCHEMBL11429461 0.76 BCHE (0.52) —
SCHEMBL2352823 0.76 CYP1A2 (0.48) DRD2DRD3HTTCYP1A2CYP3A4
SCHEMBL6469311 0.73 SMN1; SMN2 (0.57) HTTALDH1A1

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
EP-0017376-A1 Phenylacetamide compounds and an analgesic composition containing them KISSEI PHARMACEUTICAL CO. LTD (JP) 1980-10-15 — — EP disclosed
Send feedback