SCHEMBL7681591

SCHEMBL7681591

COc1cc2c(c(C(=O)O)c1)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.41
FABP4 P15090 2/20 0.39
RXRA P19793 1/20 0.39
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KDM4C Q9H3R0 4/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.37
ALPL P05186 1/20 0.37
CLK1 P49759 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL7678090 0.85 CXCR5 (0.44) CXCR5KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7677714 0.85 CXCR5 (0.42) CXCR5SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL7675116 0.83 ALDH1A1 (0.53) CXCR5RXRAKDM4EHSD17B10ALDH1A1
SCHEMBL27353157 0.80 KMT2A (0.42) RXRAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2812292 0.75 ALDH1A1 (0.43) CXCR5RXRAKDM4EHSD17B10ALDH1A1
SCHEMBL3941319 0.75 ACHE (0.41) CXCR5SMN1; SMN2CDC25BKDM4EHSD17B10
SCHEMBL7394964 0.75 DRD2 (0.42) SMN1; SMN2RXRACDC25BKDM4EHSD17B10
SCHEMBL9838900 0.74 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11731471 0.74 AKR1C4 (0.44) CXCR5SMN1; SMN2RXRAKDM4EHSD17B10
SCHEMBL4264371 0.74 CXCR5 (0.45) CXCR5SMN1; SMN2FABP4RXRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403601-B1 TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. ASTRAZENECA AB (SE) 2002-06-11 US disclosed
EP-1137637-A1 N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-10-04 EP disclosed
WO-2000034243-A1 N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed
US-4011326-A 2-Substituted oxazolo[4,5-b]pyridine anti-inflammatory agents MERCK & CO., INC. (US) 1977-03-08 US disclosed