SCHEMBL7968969

SCHEMBL7968969

O=C(O)Cc1csc(-c2ccc(C(c3cccc(O)c3)N3CCN4CCC[C@@H]4C3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ3 P48549 1/20 0.39
OPRD1 P41143 2/20 0.38
SLC6A9 P48067 3/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7973908 0.83 RAB9A (0.41) KDM4EGAAALDH1A1OPRD1SLC6A9
SCHEMBL7971485 0.79 OPRD1 (0.52) KDM4ESMN1; SMN2OPRD1
SCHEMBL7968609 0.75 PIN1 (0.41) ALDH1A1HPGDOPRD1CYP3A4CYP2C9
SCHEMBL7971031 0.73
SCHEMBL7974101 0.73 CYP1A2 (0.47) HPGDOPRD1CYP3A4CYP2C9
SCHEMBL7973630 0.72 OPRD1 (0.60) HPGDOPRD1CYP3A4CYP2C9
SCHEMBL7967499 0.71 RAB9A (0.40) KDM4EGAAHPGDOPRD1CYP3A4
SCHEMBL8847511 0.70 KDM4E (0.72) KDM4ESMN1; SMN2LMNAGAAALDH1A1
SCHEMBL7968646 0.69 OPRD1 (0.51) OPRD1
SCHEMBL7968871 0.65 CYP1A2 (0.44) HPGDOPRD1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 US disclosed