SCHEMBL20138726

SCHEMBL20138726

O=C(NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1)c1cccc2c1OCCC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ P2RX7 Q99572 1/20 0.45
▸ PTGES O14684 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL20138725 1.00 HPGD (0.48) HPGDP2RX7PTGESACKR3SMN1; SMN2
SCHEMBL20138796 0.86 HPGD (0.51) HPGDP2RX7PTGESACKR3SMN1; SMN2
SCHEMBL20138798 0.86 HPGD (0.51) HPGDP2RX7PTGESACKR3SMN1; SMN2
SCHEMBL20138807 0.77 KDM4E (0.64) HPGDP2RX7KMT2ACHRM4NPC1
SCHEMBL20138809 0.77 KDM4E (0.64) HPGDP2RX7KMT2ACHRM4NPC1
SCHEMBL20142977 0.76 HPGD (0.50) HPGDP2RX7KMT2AMAPTGRM4
SCHEMBL20139008 0.76 LMNA (0.52) HPGDP2RX7KMT2AMAPTCHRM4
SCHEMBL20139011 0.76 LMNA (0.52) HPGDP2RX7KMT2AMAPTCHRM4
SCHEMBL20142976 0.76 HPGD (0.50) HPGDP2RX7KMT2AMAPTGRM4
SCHEMBL18208239 0.76 HPGD (0.56) HPGDKMT2AMAPTCHRM4NPC1

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
WO-2018087126-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 — — WO claimed
WO-2018087126-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES AS INHIBITORS OF TANKYRASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 — — WO disclosed
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