SCHEMBL10965667

SCHEMBL10965667

O=C(NC(=O)c1ccccc1)NC1CCN(c2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 6/20 0.58
▸ MCHR1 Q99705 5/20 0.55
▸ EPHX1 P07099 1/20 0.51
▸ SLC6A12 P48065 1/20 0.49
▸ SLC6A13 Q9NSD5 1/20 0.49
▸ EPHX2 P34913 2/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ CCR3 P51677 1/20 0.46
▸ CXCR3 P49682 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
Panuramine SCHEMBL2037759 0.81 MCHR1 (0.83) DRD4MCHR1SLC6A12SLC6A13CCR3
Panuramine SCHEMBL9749426 0.81 MCHR1 (0.81) DRD4MCHR1SLC6A12SLC6A13CCR3
SCHEMBL9590523 0.80 DRD4 (0.67) DRD4MCHR1SLC6A12SLC6A13CCR3
SCHEMBL9590597 0.80 DRD4 (0.67) DRD4MCHR1EPHX1SLC6A12SLC6A13
SCHEMBL16322087 0.79 DRD4 (0.69) DRD4EPHX1EPHX2
SCHEMBL4502456 0.78 DRD4 (0.67) DRD4EPHX1EPHX2SMN1; SMN2
SCHEMBL8346658 0.78 DRD4 (0.64) DRD4MCHR1SLC6A12SLC6A13SMN1; SMN2
SCHEMBL10964860 0.77 DRD4 (0.53) DRD4MCHR1EPHX1SLC6A12SLC6A13
SCHEMBL10144870 0.77 DRD4 (0.60) DRD4MCHR1SLC6A12SLC6A13SMN1; SMN2
SCHEMBL13801318 0.77 DRD4 (0.66) DRD4MCHR1EPHX1EPHX2

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-0035374-B1 PIPERIDYL - UREA, - THIOUREA AND - GUANIDINE DERIVATIVES, AND INTERMEDIATES THEREFOR, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1985-01-30 — — EP disclosed
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