SCHEMBL9314934

SCHEMBL9314934

O=C(c1cc2ccccc2s1)N1CCc2[nH]c3c(cnc4cc(Cl)ccc43)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BAZ2B Q9UIF8 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HTR1A P08908 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCL1 Q07820 1/20 0.37
CFTR P13569 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9314894 0.84 BAZ2B (0.42) BAZ2BMEN1KMT2AMAPTCYP1A2
SCHEMBL9315614 0.84 PTGDR2 (0.48) BAZ2BMEN1KMT2AMAPTCYP1A2
SCHEMBL9315615 0.84 PTGDR2 (0.48) BAZ2BMEN1KMT2AMAPTCYP1A2
SCHEMBL9316061 0.80 BAZ2B (0.45) BAZ2BMEN1KMT2AMAPTCYP1A2
SCHEMBL9315622 0.79 SMN1; SMN2 (0.53) L3MBTL1BAZ2BMEN1KMT2AMAPT
SCHEMBL9314695 0.78 TRPV1 (0.47) BAZ2BMEN1KMT2AMAPTCYP1A2
SCHEMBL9315820 0.78 MEN1 (0.58) BAZ2BMEN1KMT2AMAPTCYP1A2
SCHEMBL9314844 0.77 CFTR (0.42) BAZ2BMEN1KMT2AMAPTCFTR
SCHEMBL9314846 0.77 BAZ2B (0.46) BAZ2BMEN1KMT2AMAPTCYP1A2
SCHEMBL9314877 0.76 KMT2A (0.46) BAZ2BHDAC6MEN1KMT2AMAPT

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-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US claimed
US-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US disclosed