SCHEMBL14908537

SCHEMBL14908537

c1cnc2c(c1)CCNO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
RECQL P46063 1/20 0.31
P2RX7 Q99572 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL10200477 0.73 HTR2C (0.45) HTR2CHTR2AHTR2BPNMTCD44
Hydrochloric Acid SCHEMBL2112080 0.72 HTR2C (0.44) HTR2CHTR2AHTR2BPNMTCD44
SCHEMBL1006653 0.71 ACHE (0.46) CHRNB2CHRNA7CHRNA4HTR3AP2RX7
SCHEMBL618831 0.69
SCHEMBL20897982 0.69 ACHE (0.42) CHRNB2CHRNA7CHRNA4HTR3AP2RX7
SCHEMBL1695772 0.69
SCHEMBL7034209 0.67 HTR2C (0.46) HTR2CPDPK1PARP1PARP10PARP11
SCHEMBL187618 0.67 HTR2C (0.46) HTR2CPDPK1PARP1PARP10PARP11
SCHEMBL29687441 0.67 HTR2C (0.46) HTR2CPDPK1PARP1PARP10PARP11
SCHEMBL29376210 0.67

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
EP-2770977-B1 NOVEL DOSAGE FORM NEUROVIVE PHARMACEUTICAL AB (SE) 2017-07-12 EP disclosed
EP-2533784-B1 SANGLIFEHRIN BASED COMPOUNDS NEUROVIVE PHARMACEUTICAL AB (SE) 2015-04-22 EP disclosed
WO-2013061052-A1 NOVEL DOSAGE FORM BIOTICA TECHNOLOGY LIMITED (GB) 2013-05-02 WO disclosed