SCHEMBL7950741

SCHEMBL7950741

O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(-c2ccccn2)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2 P00734 1/20 0.36
F12 P00748 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34

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
SCHEMBL7943973 0.86 ABHD6 (0.41) TRPV1KDM4EGRIN1GRIN2BHPGD
SCHEMBL29572389 0.82 KMT2A (0.41) KDM4ECYP2C19ALDH1A1CYP1A2POLB
SCHEMBL5752911 0.82 KMT2A (0.41) KDM4ECYP2C19ALDH1A1CYP1A2POLB
SCHEMBL5791221 0.81 GAA (0.36) KDM4ECYP2C19ALDH1A1CYP1A2POLB
SCHEMBL5756115 0.77 ADH5 (0.37) ALDH1A1
SCHEMBL5753883 0.75 KMT2A (0.41) KDM4ECYP2C19ALDH1A1CYP1A2POLB
SCHEMBL5756102 0.75 HSD17B13 (0.34) F2KMT2AABHD6PDK2
SCHEMBL27421301 0.74 TRPV1 (0.38) TRPV1KDM4ECYP2C19F2F12
SCHEMBL7957026 0.74 P2RX1 (0.46) HPGDKMT2AABHD6
SCHEMBL7951517 0.73 GAA (0.45) ALDH1A1HPGDABHD6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US claimed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed