SCHEMBL7449807

SCHEMBL7449807

O=C(N1CCCC1)C1(c2ccc3[nH]cnc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 5/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
PLG P00747 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIA2 P42262 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL7449809 0.90 HSD11B1 (0.51) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL1464875 0.81 AKR1C3 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19HPGD
SCHEMBL13373550 0.74 HPGD (0.58) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL15386631 0.74 ROCK2 (0.41) ALDH1A1EPHX2
SCHEMBL435423 0.74 ROCK2 (0.41) ALDH1A1EPHX2
SCHEMBL1078190 0.73 EPHX2 (0.34) HSD11B1ALDH1A1HPGDEPHX2
SCHEMBL4664227 0.73 EPHX2 (0.38) HSD11B1MEN1KMT2AALDH1A1HPGD
SCHEMBL1855879 0.73 HPGD (0.61) HSD11B1MEN1KMT2AALDH1A1HPGD
SCHEMBL29565081 0.73 HPGD (0.61) HSD11B1MEN1KMT2AALDH1A1HPGD
SCHEMBL1855882 0.73 HPGD (0.61) HSD11B1MEN1KMT2AALDH1A1HPGD

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
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed