SCHEMBL20924365

SCHEMBL20924365

CCCCc1ccc(-c2cc(C#N)ccc2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ KDM1A O60341 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ ALOX5 P09917 2/20 0.44
▸ GPR84 Q9NQS5 2/20 0.44
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ RARB P10826 1/20 0.41
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TACR2 P21452 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL28653265 0.83 CNR1 (0.61) HSD17B10ALOX5GPR84CNR1CNR2
SCHEMBL2034343 0.80 TSHR (0.86) HSD17B10TSHRRARBALDH1A1
SCHEMBL10456991 0.80 TSHR (0.86) HSD17B10TSHRRARBALDH1A1
SCHEMBL29290906 0.79 CNR1 (0.71) HSD17B10TSHRKDM1AMAOAALOX5
SCHEMBL23864186 0.79 TSHR (0.52) HSD17B10TSHRKDM1AGPR84RARB
SCHEMBL3854168 0.78 TSHR (0.62) HSD17B10TSHRKDM1ACNR1CNR2
SCHEMBL7208756 0.78 TSHR (0.62) HSD17B10TSHRKDM1ACNR1CNR2
SCHEMBL3753968 0.78 HSD17B10 (0.76) HSD17B10TSHRESR1ADRA2AADORA3
SCHEMBL9818748 0.77 ALOX5 (0.58) HSD17B10ALOX5GPR84CNR1CNR2
SCHEMBL10606870 0.77 TSHR (0.65) HSD17B10TSHRCNR1CNR2RARB

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
EP-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 — — EP disclosed
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