SCHEMBL7896192

SCHEMBL7896192

C[C@H]1Cn2c(Cl)nc3cc(Cl)cc(c32)CN1CC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.30

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
SCHEMBL7896175 0.81
SCHEMBL9530846 0.79
SCHEMBL7903484 0.63 SIGMAR1 (0.34)
SCHEMBL7904391 0.60 OPRD1 (0.32)
SCHEMBL7903538 0.59 HTR1A (0.37)
SCHEMBL11042701 0.57 CYP2D6 (0.40) ALOX5
SCHEMBL7908075 0.56 HTR1A (0.48)
SCHEMBL9526261 0.56 HTR1A (0.54)
SCHEMBL7395375 0.53 HTR2C (0.48) ALOX5
SCHEMBL14260177 0.51 SIGMAR1 (0.32)

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-6201119-B1 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-13 US disclosed
US-5371079-A Administering to inhibit replication of HIV-1 in human cells JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-06 US disclosed
US-5270464-A Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-14 US disclosed