SCHEMBL7964433

SCHEMBL7964433

O=C(Nc1ccncc1F)C1=C(O)CCc2c1nc1cc(F)ccn21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
WNT1 P04628 1/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL7950067 0.88 NPC1 (0.39)
SCHEMBL7964531 0.87 CSNK1D (0.40)
SCHEMBL7961404 0.87 EPHB3 (0.39)
SCHEMBL7949787 0.86 HTT (0.36) CYP11B1CYP11B2
SCHEMBL7958270 0.83 SMN1; SMN2 (0.33) CYP11B1CYP11B2
SCHEMBL7964298 0.82 IGF1R (0.37)
SCHEMBL7418615 0.78 KCNK3 (0.45)
SCHEMBL7418401 0.78 TP53 (0.39)
SCHEMBL7964544 0.77 KMT2A (0.42)
SCHEMBL7420377 0.76 EPHB3 (0.44)

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-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed