SCHEMBL29886325

SCHEMBL29886325

O=Cc1ccnc(N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 5/20 0.49
▸ HRH4 Q9H3N8 2/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.43
▸ PIK3CA P42336 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ ADRB1 P08588 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL786129 1.00 ALDH1A3 (0.49) ALDH1A3HRH4ALDH1A1SMN1; SMN2TRIM24
SCHEMBL14232379 0.98 HRH4 (0.50) ALDH1A3HRH4ALDH1A1SMN1; SMN2TRIM24
SCHEMBL19547056 0.85 HRH4 (0.55) HRH4ALDH1A1KDM4E
SCHEMBL1715756 0.85 PIK3CA (0.57) ALDH1A3ALDH1A1SMN1; SMN2KDM4EPIK3CA
SCHEMBL23048714 0.81 HRH3 (0.41) HRH4ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL23048878 0.81 HRH3 (0.42) —
SCHEMBL23048648 0.81 HRH3 (0.45) HRH4ALDH1A1KDM4EMAPTLRRK2
SCHEMBL1914424 0.81 MAPT (0.48) HRH4ALDH1A1SMN1; SMN2TRIM24TRIM33
SCHEMBL11998350 0.81 PTPN11 (0.43) —
SCHEMBL23048742 0.81 PIK3CA (0.38) ALDH1A3HRH4ALDH1A1SMN1; SMN2KDM4E

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-4119561-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics Incorporated (US) 2023-01-18 — — EP disclosed
EP-3851107-B1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INC (US) 2022-10-19 — — EP disclosed
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