SCHEMBL20084044

SCHEMBL20084044

O=C(Nc1ccc(Cl)c(F)c1)c1cccc(CCN(CCO)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.44
▸ ACKR3 P25106 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ KCNQ3 O43525 2/20 0.40
▸ KCNQ2 O43526 2/20 0.40
▸ KCNE1 P15382 2/20 0.40
▸ KCNQ1 P51787 2/20 0.40
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ KDM1A O60341 2/20 0.39
▸ KCNQ5 Q9NR82 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CCR2 P41597 1/20 0.38

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
SCHEMBL21844909 0.85 KMT2A (0.40) MAOBACKR3RAB9ANPC1KDM1A
SCHEMBL20084043 0.83 SMN1; SMN2 (0.47) ACKR3RAB9ANPC1LMNAMAPT
SCHEMBL21844908 0.83 KDM1A (0.48) RAB9ANPC1KDM1ALMNAMAPT
SCHEMBL15276908 0.78 ALDH1A1 (0.44) MAOBMGLLRAB9ANPC1LMNA
SCHEMBL19157637 0.77 NPC1 (0.50) MAOBACKR3RAB9ANPC1SMN1; SMN2
SCHEMBL15276895 0.71 LMNA (0.53) RAB9ANPC1LMNAGAAMAPT
SCHEMBL15276909 0.70 RAB9A (0.50) RAB9ANPC1LMNAGAAMAPT
SCHEMBL30456589 0.70 NPC1 (0.77) MAOBRAB9ANPC1KCNQ3KCNQ2
SCHEMBL7969220 0.70 NPC1 (0.61) MAOBRAB9ANPC1LMNAMAPT
SCHEMBL19156955 0.69 KCNK3 (0.66) MAOBRAB9ANPC1

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-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 — — EP disclosed
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