SCHEMBL7740379

SCHEMBL7740379

[CH2]c1cccc(NCC2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.41
POLB P06746 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
IDH1 O75874 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
GPR39 O43194 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
CNR2 P34972 1/20 0.34
PRKCQ Q04759 3/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL1419784 0.78 PRKCQ (0.48) CRHR1POLBCARM1PRMT6MAPT
SCHEMBL25547612 0.78 CRHR1 (0.41) CRHR1POLBCARM1PRMT6IDH1
SCHEMBL632625 0.78 POLB (0.60) CRHR1POLBCYP1A2CYP3A4CYP2D6
SCHEMBL4369018 0.78 CRHR1 (0.52) CRHR1MAPTHTTF10
SCHEMBL30288236 0.76 KDM1A (0.46) CRHR1POLBCARM1PRMT6ACHE
SCHEMBL10055002 0.76 CARM1 (0.57) CRHR1CARM1PRMT6CYP3A4CYP2D6
SCHEMBL18434523 0.76 CARM1 (0.57) CRHR1CARM1PRMT6CYP3A4CYP2D6
SCHEMBL10055063 0.76 CARM1 (0.57) CRHR1CARM1PRMT6CYP3A4CYP2D6
SCHEMBL1722281 0.76 CARM1 (0.57) CRHR1CARM1PRMT6CYP3A4CYP2D6
SCHEMBL18901185 0.75 DDB1 (0.46) CRHR1POLBCARM1PRMT6ACHE

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
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed