SCHEMBL7455693

SCHEMBL7455693

O=C(Nc1cccc(OCc2ccccc2)c1)Nc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
HTR2C P28335 8/20 0.54
HTR2B P41595 8/20 0.54
PTK6 Q13882 1/20 0.54
PPIA P62937 4/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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
Hydrochloric Acid SCHEMBL7657697 0.99 SMN1; SMN2 (0.57) SMN1; SMN2HTR2CHTR2BPTK6PPIA
Hydrochloric Acid SCHEMBL7658357 0.86 HTR2C (0.59) HTR2CHTR2BPTK6MEN1KMT2A
Hydrochloric Acid SCHEMBL7657613 0.85 HTR2C (0.57) HTR2CHTR2BTRPV1
SCHEMBL7447310 0.84 HTR2C (0.67) HTR2CHTR2BPTK6MEN1KMT2A
SCHEMBL15923162 0.84 PTK6 (0.67) SMN1; SMN2PTK6CTSVCTSL
SCHEMBL31197402 0.84 PTK6 (0.67) SMN1; SMN2PTK6CTSVCTSL
Hydrochloric Acid SCHEMBL8808426 0.83 PTK6 (0.65) SMN1; SMN2PTK6CTSVCTSL
SCHEMBL28390021 0.82 MEN1 (0.71) PPIAMEN1KMT2ANPC1POLB
SCHEMBL7447576 0.82 HTR2C (0.63) SMN1; SMN2HTR2CHTR2BMEN1KMT2A
Hydrochloric Acid SCHEMBL7665874 0.81 HTR2C (0.58) HTR2CHTR2BTRPV1

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
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed