SCHEMBL29698786

SCHEMBL29698786

Cc1ccc2ccc(F)c(B(O)O)c2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
RAB9A P51151 1/20 0.50
CCR5 P51681 1/20 0.50
METAP2 P50579 1/20 0.43
PARP1 P09874 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
OPRK1 P41145 1/20 0.34
GLO1 Q04760 1/20 0.33

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
SCHEMBL1699392 1.00 CCR1 (0.50) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL12260616 0.76 CCR1 (0.52) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL29957634 0.76 CCR1 (0.52) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL28457157 0.75 CCR1 (0.56) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL29440934 0.74 CCR1 (0.61) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL7449839 0.74 CCR1 (0.61) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL15171327 0.74 CCR1 (0.61) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL28722003 0.73 LMNA (0.52) CCR1CCR5METAP2PARP1LMNA
SCHEMBL24876021 0.71 CCR1 (0.56) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL31644163 0.71 CCR1 (0.62) CCR1RAB9ACCR5METAP2PARP1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed