SCHEMBL28112415

SCHEMBL28112415

c1cc(N2CCN(c3ccncc3)CC2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.80
ADRB2 P07550 1/20 0.70
NCF1 P14598 1/20 0.70
PLD1 Q13393 1/20 0.70
EED O75530 1/20 0.52
MAPT P10636 6/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
AKR1C3 P42330 1/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 1/20 0.48
DHFR P00374 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL18590696 0.90 CHKA (0.67) CHKAADRB2NCF1PLD1EED
SCHEMBL19468905 0.89 CHKA (0.90) CHKAADRB2NCF1PLD1EED
SCHEMBL49273 0.89 CHKA (1.00) CHKAADRB2NCF1PLD1EED
SCHEMBL446202 0.88 CHKA (0.64) CHKAADRB2NCF1PLD1EED
SCHEMBL19157187 0.88 CHKA (0.64) CHKAADRB2NCF1PLD1EED
SCHEMBL91519 0.88 CHKA (0.64) CHKAADRB2NCF1PLD1EED
SCHEMBL8634506 0.88 CHKA (0.64) CHKAADRB2NCF1PLD1EED
SCHEMBL8217931 0.88 CHKA (0.64) CHKAADRB2NCF1PLD1EED
SCHEMBL26706377 0.88 CHKA (0.64) CHKAADRB2NCF1PLD1EED
SCHEMBL48987 0.87 CHKA (0.95) CHKAADRB2NCF1PLD1EED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106399124-A Solid medium of cordyceps sinensis mycelia 徐春生 2017-02-15 CN claimed
CN-106399124-A Solid medium of cordyceps sinensis mycelia 徐春生 2017-02-15 CN disclosed
CN-106221962-A A kind of abluent 许勤峰 2016-12-14 CN disclosed
CN-106048631-A Cleaning agent for electroless copper plating tank 许勤峰 2016-10-26 CN disclosed