SCHEMBL7949899

SCHEMBL7949899

O=C(Nc1ccccc1)C1=C(O)CCc2c1nc1cc(C(F)(F)F)ccn21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NTRK1 P04629 1/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNK3 O14649 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
THRB P10828 2/20 0.38
P2RX1 P51575 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7415629 0.85 TMPRSS4 (0.40) RAB9AMAPTNPC1
SCHEMBL7418952 0.83 RAB9A (0.44) LMNANTRK1RAB9AKMT2ANPC1
SCHEMBL7415683 0.82 RAB9A (0.42) RAB9AMEN1KMT2AKCNK3NPC1
SCHEMBL7949787 0.78 HTT (0.36) LMNARAB9AMEN1MAPTHTT
SCHEMBL7961855 0.77 SMN1; SMN2 (0.55) LMNANTRK1RAB9AMAPTKMT2A
SCHEMBL7959855 0.77 LMNA (0.44) LMNANTRK1RAB9AMAPTKMT2A
SCHEMBL7411535 0.75 SMN1; SMN2 (0.55) LMNARAB9AMEN1MAPTHTT
SCHEMBL7416321 0.75 MAPT (0.47) LMNANTRK1RAB9AMAPTKMT2A
SCHEMBL7418016 0.75 KMT2A (0.51) LMNARAB9AMEN1MAPTKMT2A
SCHEMBL7964418 0.75 RAB9A (0.44) RAB9AMEN1MAPTKMT2ANPC1

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
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
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed