SCHEMBL29067295

SCHEMBL29067295

O=C(O)N1CCC(c2ccc(N3CCCC3)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 8/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PANK3 Q9H999 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ UBE2T Q9NPD8 1/20 0.41
▸ DGAT1 O75907 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL12240393 0.82 CHRNA7 (0.50) CHRNA7SMN1; SMN2KDM4EGLAHTT
SCHEMBL25319235 0.81 GPR119 (0.57) HPGD
SCHEMBL30932095 0.80 CHRNA7 (0.48) CHRNA7SMN1; SMN2KDM4EGLAHTT
Hydrochloric Acid SCHEMBL27676371 0.80 CHRNA7 (0.47) FASNCHRNA7SMN1; SMN2KDM4EGLA
SCHEMBL10179413 0.78 KDM4E (0.68) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL30783142 0.78 TRPC6 (0.52) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL609605 0.78 TRPC6 (0.52) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL27848379 0.78 PANK3 (0.54) SMN1; SMN2KDM4EGLAHTTKMT2A
SCHEMBL25318029 0.78 FAAH (0.52) SMN1; SMN2KDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL27676281 0.77 TRPC6 (0.48) SMN1; SMN2KDM4EGLAHTTKMT2A

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
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 — — CN disclosed
Send feedback