SCHEMBL7860934

SCHEMBL7860934

CCOC(=O)CCCn1cc(C(=O)c2ccc(OCc3ccc(C)cc3)c(OCCCCl)c2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.53
CREBBP Q92793 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CNR2 P34972 2/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7859329 0.89 CNR1 (0.56) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL7924583 0.85 CNR1 (0.58) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL7859576 0.85 ADRA1D (0.47) CNR1NPC1KDM4EALDH1A1MAPT
SCHEMBL7931370 0.82 CNR1 (0.51) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL9336481 0.79 CNR1 (0.62) CNR1CREBBPPOLBL3MBTL1CNR2
SCHEMBL7860372 0.78 PLK1 (0.45) SMN1; SMN2MEN1KMT2A
Potassium Ion SCHEMBL7853738 0.78 HTR1A (0.41) CNR2MEN1KMT2A
SCHEMBL8792140 0.78 CNR1 (0.66) CNR1CREBBPPOLBL3MBTL1CNR2
Potassium Ion SCHEMBL7860570 0.78 MEN1 (0.44) CNR2MEN1KMT2A
SCHEMBL7853735 0.77 CNR1 (0.70) 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
EP-0753511-B1 4-INDOL-1-YL BUTYRIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF ALPHA1-ADRENERGIC RECEPTORS AND TESTOSTERONE 5ALPHA-REDUCTASES ZERIA PHARM CO LTD (JP) 2001-07-11 EP disclosed
US-5760040-A THERAPEUTIC AGENT FOR PROSTATIC HYPERTROPHY, URINATION DISORDER, ALOPECIA AND ACNE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
EP-0753511-A1 INDOLE DERIVATIVE AND MEDICINE CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-01-15 EP disclosed