SCHEMBL10508730

SCHEMBL10508730

CN(Cc1ccccn1)C1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LIN28A Q9H9Z2 1/20 0.45
▸ MCHR1 Q99705 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ KCNA5 P22460 1/20 0.42
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL10508734 1.00 RAB9A (0.46) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL17888208 0.92 TDP1 (0.52) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL17297790 0.86 SMN1; SMN2 (0.46) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL17297961 0.86 SMN1; SMN2 (0.46) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL13744480 0.86 SMN1; SMN2 (0.46) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL17376555 0.86 TSHR (0.51) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL19477704 0.85 TDP1 (0.45) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL19195010 0.85 TDP1 (0.45) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL3122498 0.84 TSHR (0.50) RAB9ATDP1MAPTSMN1; SMN2LIN28A
SCHEMBL19102403 0.84 TDP1 (0.44) RAB9ATDP1MAPTSMN1; SMN2LIN28A

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-0156191-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-07-19 — — EP disclosed
EP-0156191-A2 Condensed diazepinones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-10-02 — — EP disclosed
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