SCHEMBL8844231

SCHEMBL8844231

c1ccc(CN2CCC(c3ccncc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CCR5 P51681 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
HRH3 Q9Y5N1 2/20 0.53
CXCR4 P61073 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
DRD2 P14416 1/20 0.50

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
SCHEMBL29832299 0.94 TRPV6 (0.64) TRPV6MEN1KMT2ACCR5CYP1A2
SCHEMBL22755777 0.89 MEN1 (0.68) MEN1KMT2ACCR5CYP1A2CYP3A4
SCHEMBL6023725 0.89 MEN1 (0.68) MEN1KMT2ACCR5CYP1A2CYP3A4
SCHEMBL3598146 0.89 MEN1 (0.68) MEN1KMT2ACCR5CYP1A2CYP3A4
SCHEMBL8844573 0.84 TP53 (0.59) TRPV6MEN1KMT2ACCR5SIGMAR1
SCHEMBL6902946 0.83 MEN1 (0.74) MEN1KMT2ACCR5SIGMAR1ACHE
SCHEMBL31328426 0.82 CCR5 (0.49) TRPV6MEN1KMT2ACCR5CYP1A2
SCHEMBL25890035 0.81 ACHE (0.60) MEN1KMT2ACCR5ACHEBCHE
SCHEMBL20148958 0.81 ACHE (0.60) MEN1KMT2ACCR5SIGMAR1ACHE
SCHEMBL24126796 0.81 BCHE (0.63) MEN1KMT2ASIGMAR1ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 US disclosed
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 US disclosed
US-5622966-A BACTERICIDES TREATING INFECTIONS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5446044-A Bactericides WARNER-LAMBERT COMPANY (US) 1995-08-29 US disclosed
US-5384407-A Pyrrolidine compounds WARNER-LAMBERT COMPANY (US) 1995-01-24 US disclosed
US-5342844-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-08-30 US disclosed
WO-1993016077-A1 7-SUBSTITUTED QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-08-19 WO disclosed
US-5221676-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1993-06-22 US disclosed