SCHEMBL10668646

SCHEMBL10668646

O=C(N1CC=C(c2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.59
▸ CCR1 P32246 1/20 0.55
▸ SIGMAR1 Q99720 3/20 0.50
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ CASP3 P42574 1/20 0.46

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
SCHEMBL10672727 0.90 ALDH1A1 (0.57) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL10670972 0.87 MAPT (0.53) CNR1CCR1SIGMAR1MAPTLMNA
SCHEMBL15556551 0.80 CNR1 (0.63) CNR1CCR1SIGMAR1MAPTLMNA
SCHEMBL5534769 0.77 CNR1 (0.59) CNR1CCR1SIGMAR1MAPTLMNA
SCHEMBL10671588 0.72 ALDH1A1 (0.62) CCR1MAPTLMNAHTTALDH1A1
SCHEMBL1193355 0.72 ALDH1A1 (0.63) CNR1MAPTLMNAHTTALDH1A1
SCHEMBL28811687 0.72 ALDH1A1 (0.63) CNR1MAPTLMNAHTTNAMPT
SCHEMBL11087646 0.72 CNR1 (0.51) CNR1CCR1SIGMAR1MAPTLMNA
SCHEMBL2241959 0.72 ALDH1A1 (0.67) CNR1SIGMAR1MAPTLMNAHTT
SCHEMBL25167083 0.72 CNR1 (0.53) CNR1CCR1SIGMAR1MAPTLMNA

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
US-4782071-A Tetrasubstituted urea cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-01 — — US disclosed
Send feedback