SCHEMBL28165752

SCHEMBL28165752

C1=C2CNCCC2CCN1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2C P28335 3/20 0.31
HTR3A P46098 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
PLG P00747 1/20 0.31
QDPR P09417 1/20 0.31

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
SCHEMBL1545610 0.90 HRH4 (0.33) SLC18A3SIGMAR1HTR3A
SCHEMBL19348393 0.84
SCHEMBL15924379 0.78
SCHEMBL2121563 0.73
SCHEMBL6788944 0.73
SCHEMBL11381299 0.71 HRH4 (0.32)
SCHEMBL27449730 0.70
SCHEMBL27468917 0.70 NISCH (0.30)
SCHEMBL828613 0.70 HRH4 (0.34) SLC18A3SIGMAR1HTR3AMAPT
SCHEMBL27450276 0.68 NISCH (0.33)

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-107074804-A Carbazole derivates 百时美施贵宝公司 2017-08-18 CN claimed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
CN-107074804-A Carbazole derivates 百时美施贵宝公司 2017-08-18 CN disclosed