SCHEMBL7357718

SCHEMBL7357718

CC(C)N(CC1CCNCC1)c1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CHRM1 P11229 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FFAR2 O15552 1/20 0.39

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
SCHEMBL7360406 0.93 F10 (0.48) F10NPC1RAB9AHTTALOX15
SCHEMBL7358443 0.87 POLB (0.46) F10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7356464 0.83 F10 (0.43) F10SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7362651 0.83 F10 (0.47) F10
SCHEMBL7379779 0.82 KCNMA1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL7360970 0.82 F10 (0.46) F10MEN1KMT2A
SCHEMBL6106784 0.82 F10 (0.52) F10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6106785 0.78 F10 (0.52) F10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7359375 0.76 F10 (0.44) F10
SCHEMBL7362985 0.75 SMN1; SMN2 (0.46) F10SMN1; SMN2NPC1RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
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