SCHEMBL7934794

SCHEMBL7934794

CCOC(=O)CCCn1cc(C(=O)c2ccc(N)c(O)c2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.63
CREBBP Q92793 1/20 0.55
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CNR2 P34972 7/20 0.51
SRD5A1 P18405 3/20 0.48
SRD5A2 P31213 3/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7861333 0.91 CNR1 (0.67) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL8793064 0.86 CNR1 (0.68) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL9334349 0.86 CNR1 (0.68) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL7853735 0.86 CNR1 (0.70) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL7924583 0.86 CNR1 (0.58) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL8793547 0.85 CNR1 (0.73) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL9269935 0.85 CNR1 (0.56) CNR1CREBBPCNR2LMNA
SCHEMBL8792193 0.83 CNR1 (0.69) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL27304797 0.83 CNR1 (0.70) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL9267345 0.83 CNR1 (0.57) CNR1CREBBPPOLBL3MBTL1CNR2

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-6242449-B1 TREATING PROSTATIC HYPERTROPHY, URINATION DISORDERS ASSOCIATED WITH PROSTATIC HYPERTROPHY, MALE PATTERN ALOPECIA, OR ACNE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-0997457-A1 3-BENZOYLINDOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-05-03 EP disclosed
WO-1995023143-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1995-08-31 WO disclosed