SCHEMBL27570675

SCHEMBL27570675

CCCCc1ccnc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.37
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
NOS2 P35228 1/20 0.35
TLR8 Q9NR97 2/20 0.35
KDM4E B2RXH2 2/20 0.33
CTRC Q99895 1/20 0.33
HPGD P15428 1/20 0.33
METAP2 P50579 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL6999496 0.92 TYR (0.46) TYRHTR2AHTR2CHTR2BKDM4E
Hydrochloric Acid SCHEMBL28538588 0.89 TYR (0.44) TYRHTR2AHTR2CHTR2BTLR8
Bromide SCHEMBL27953978 0.89 TYR (0.44) TYRHTR2AHTR2CHTR2BTLR8
SCHEMBL11500900 0.83 CYP2D6 (0.37) HPGDALDH1A1KMT2ADYRK1A
SCHEMBL27660968 0.81 NOS2 (0.41) TYRHTR2AHTR2CHTR2BNOS2
SCHEMBL15528179 0.81 NOS2 (0.49) TYRNOS2TLR8GABRPGABRD
SCHEMBL28124885 0.81 CTRC (0.39) TYRHTR2AHTR2CHTR2BNOS2
SCHEMBL3801869 0.79 NOS2 (0.38) NOS2METAP2GABRA1GABRB2
SCHEMBL11379212 0.78 TYR (0.41) TYRHTR2AHTR2CHTR2BNOS2
SCHEMBL28135505 0.77 TYR (0.42) TYRHTR2AHTR2CHTR2BNOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119320146-A ZSM-5 molecular sieve with self-supporting structure and synthesis method thereof 南开大学 2025-01-17 CN disclosed
CN-1319857-C High silicon super stabilizing natural foresite and it preparation process UNIV FUDAN (CN) 2007-06-06 CN disclosed
CN-1724363-A High silicon super stabilizing natural foresite and it preparation process UNIV FUDAN (CN) 2006-01-25 CN disclosed