SCHEMBL22240222

SCHEMBL22240222

Cc1ccc2c(n1)N(c1ccccn1)C1CCN2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AVPR1A P37288 4/20 0.40
▸ CHI3L1 P36222 4/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CHIT1 Q13231 1/20 0.39
▸ CHI3L2 Q15782 1/20 0.39
▸ CHIA Q9BZP6 1/20 0.39
▸ GRM1 Q13255 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL22239569 0.76 HRH4 (0.39) KDM4EHPGDTSHRHSD17B10KCNH2
SCHEMBL22239935 0.76 HRH4 (0.39) KDM4EHPGDTSHRHSD17B10KCNH2
SCHEMBL22239854 0.74 CHI3L1 (0.33) USP30CHI3L1KCNH2CHIT1CHI3L2
SCHEMBL18129069 0.67 MAP4K4 (0.56) KDM4ELMNAMAPTHPGDTSHR
SCHEMBL23875675 0.65 GRM1 (0.51) USP30KDM4EMAPTTSHRAVPR1A
SCHEMBL8091809 0.65 GRM1 (0.51) USP30KDM4EMAPTTSHRAVPR1A
SCHEMBL30146648 0.65 MAP4K4 (0.52) USP30KDM4EHPGDHSD17B10AVPR1A
SCHEMBL20632760 0.65 OPRK1 (0.33) KDM4ETSHRHSD17B10PDE10AALDH1A1
SCHEMBL359401 0.65 PLD1 (0.58) KDM4EMAPTTSHRAVPR1AGPR119
SCHEMBL29774590 0.65 PLD1 (0.58) KDM4EMAPTTSHRAVPR1AGPR119

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-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
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