SCHEMBL7904416

SCHEMBL7904416

CC(C)=CCN1[C@H](C)c2cccc(N)c2NC[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.36
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL7904425 1.00 PRCP (0.36) PRCPSIGMAR1
SCHEMBL7904422 1.00 PRCP (0.36) PRCPSIGMAR1
SCHEMBL7902289 1.00 PRCP (0.36) PRCPSIGMAR1
SCHEMBL7902288 1.00 PRCP (0.36) PRCPSIGMAR1
SCHEMBL7904440 0.83
SCHEMBL7904443 0.83
SCHEMBL7902256 0.82 CYP1A2 (0.35) PRCP
SCHEMBL7902097 0.80 SIGMAR1 (0.34) SIGMAR1
SCHEMBL7903491 0.74 SIGMAR1 (0.32) SIGMAR1
SCHEMBL9387637 0.68 HTR1A (0.39) PRCPSIGMAR1

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