SCHEMBL27720665

SCHEMBL27720665

O=P(O)(O)CC1=CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GABRR1 P24046 2/20 0.50
BLM P54132 2/20 0.50
RGS12 O14924 1/20 0.50
CYP3A4 P08684 1/20 0.50
GABRR2 P28476 1/20 0.50
MAPK1 P28482 1/20 0.50
GNAI1 P63096 1/20 0.50
PMP22 Q01453 1/20 0.50
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41

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
SCHEMBL17032266 0.73
SCHEMBL5543615 0.72 TSHR (0.44) TSHRGABRR1BLMRGS12CYP3A4
SCHEMBL11882595 0.71 TSHR (0.52) TSHRGABRR1BLMRGS12CYP3A4
SCHEMBL3896556 0.69 TSHR (0.41) TSHRGABRR1BLMRGS12CYP3A4
SCHEMBL20458871 0.69
SCHEMBL7027937 0.69
SCHEMBL3880007 0.69
SCHEMBL8052578 0.69
SCHEMBL13844629 0.69
Hydrochloric Acid SCHEMBL14311855 0.67 HTR2C (0.41) TSHRGABRR1BLMRGS12CYP3A4

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
CN-101309682-A Modulation of neurogenesis by pde inhibition BRAINCELLS INC (US) 2008-11-19 CN disclosed