SCHEMBL7224843

SCHEMBL7224843

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(-c2ncccc2F)o1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 10/20 0.40
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
FAAH O00519 3/20 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
SCHEMBL7233037 0.86 ACKR3 (0.41) ACKR3
SCHEMBL7229511 0.86 FAAH (0.44) ACKR3CA12CA1CA2CA4
SCHEMBL7224807 0.85 MGAM (0.35)
SCHEMBL7231889 0.83 FAAH (0.49) FAAH
SCHEMBL7230448 0.82 ACKR3 (0.40) ACKR3CA12CA1CA2CA4
SCHEMBL7232969 0.82 FAAH (0.42) CA12CA1CA2CA4FAAH
SCHEMBL7226619 0.82 HDAC1 (0.46) ACKR3CA12CA1CA2CA4
SCHEMBL7073214 0.81 TUBB4A (0.47) CA12CA1CA2CA4FAAH
SCHEMBL7233239 0.81 CA12 (0.39) ACKR3CA12CA1CA2CA4
SCHEMBL7233445 0.81 CA12 (0.41) ACKR3CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed