SCHEMBL20103543

SCHEMBL20103543

O=C(Nc1ccccc1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.84
NTRK2 Q16620 13/20 0.84
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65

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
SCHEMBL20103744 0.91 NTRK1 (0.79) NTRK1NTRK2
SCHEMBL20103766 0.91 NTRK1 (0.82) NTRK1NTRK2NPC1RAB9A
SCHEMBL20103636 0.89 NTRK1 (1.00) NTRK1NTRK2NPC1RAB9A
SCHEMBL20103644 0.88 NTRK1 (0.83) NTRK1NTRK2NPC1RAB9A
SCHEMBL20103822 0.86 NTRK1 (1.00) NTRK1NTRK2NPC1RAB9A
SCHEMBL20103646 0.86 NTRK1 (1.00) NTRK1NTRK2NPC1RAB9A
SCHEMBL784574 0.80 RAB9A (1.00) NPC1RAB9A
SCHEMBL30583066 0.80 RAB9A (1.00) NPC1RAB9A
SCHEMBL14025743 0.78 NTRK1 (0.57) NTRK1NTRK2RAB9A
SCHEMBL6514534 0.78 HPSE (0.77) NTRK1NTRK2NPC1RAB9A

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
WO-2018077898-A1 N,N'-DIARYLUREA, N,N'-DIARYLTHIOUREA AND N,N'-DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE UNIVERSITÄT INNSBRUCK (AT) 2018-05-03 WO disclosed
EP-3315495-A1 N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE Universität Innsbruck (AT) 2018-05-02 EP disclosed