SCHEMBL9115151

SCHEMBL9115151

N=C(N)N(c1ccc2cccc3c2c1C=C3)c1ccc(Br)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL9112654 0.87 CHEK1 (0.36) P2RX4SIGMAR1
SCHEMBL8330881 0.86 P2RX4 (0.35) P2RX4
SCHEMBL6155646 0.86 P2RX4 (0.35) P2RX4SIGMAR1
SCHEMBL6155731 0.83 KDM4E (0.35) P2RX4SIGMAR1
SCHEMBL9112965 0.81 ALDH1A1 (0.40) P2RX4SIGMAR1
SCHEMBL6156768 0.77 SIGMAR1 (0.40) P2RX4SIGMAR1
SCHEMBL8397893 0.77
SCHEMBL6157647 0.74 KDM4E (0.45) P2RX4SIGMAR1
SCHEMBL9112765 0.74 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8329455 0.73 HPGD (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP claimed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP claimed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO claimed
EP-0584088-A4 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS. CAMBRIDGE NEUROSCIENCE RES (US) 1995-01-18 EP disclosed
EP-0584088-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE RESEARCH, INC. (US) 1994-03-02 EP disclosed
WO-1992014697-A1 SUBSTITUTED GUANIDINES AND DERIVATIVES THEREOF AS MODULATORS OF NEUROTRANSMITTER RELEASE AND NOVEL METHODOLOGY FOR IDENTIFYING NEUROTRANSMITTER RELEASE BLOCKERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1992-09-03 WO disclosed