SCHEMBL27672015

SCHEMBL27672015

CC1(C(=O)O)C=C(c2cc([N+](=O)[O-])ccc2OCc2ccccc2)C=C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
CYP19A1 P11511 8/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
PPIA P62937 2/20 0.40
ALDH1A1 P00352 1/20 0.39
AKR1C3 P42330 1/20 0.39
GAA P10253 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL27651789 0.92 CYP19A1 (0.43) MEN1KMT2AMAPTCYP19A1PTGDR2
SCHEMBL27793517 0.88 PTGDR2 (0.42) MEN1KMT2AMAPTPTGDR2ALDH1A1
SCHEMBL27814942 0.85 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL27651730 0.82 CYP19A1 (0.37) MEN1KMT2AMAPTCYP19A1PTGDR2
SCHEMBL27997806 0.81 MRGPRX4 (0.40) L3MBTL1
SCHEMBL27651757 0.80 MEN1 (0.47) MEN1KMT2AMAPTCYP19A1PTGDR2
SCHEMBL28856733 0.77 KMT2A (0.39) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL28035339 0.74 NR4A2 (0.46) SMN1; SMN2
SCHEMBL27519436 0.73 NR4A2 (0.39) MEN1KMT2AALDH1A1
SCHEMBL2874685 0.72 PTGDR2 (0.69) MEN1KMT2AMAPTCYP19A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101875961-B Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related therto ARENA PHARM INC 2015-01-07 CN disclosed
CN-1826322-B Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor for the prevention and treatment of related disorders ARENA PHARM INC 2012-04-18 CN disclosed
CN-101875961-A Be used to prevent and treat associated conditions and as the diaryl and the aryl heteroaryl urea derivatives of 5-HT2A serotonin receptor modulator ARENA PHARM INC 2010-11-03 CN disclosed
CN-101871931-A Be used to prevent and treat associated conditions and as the diaryl and the aryl heteroaryl urea derivatives of 5-HT2A serotonin receptor modulator ARENA PHARM INC 2010-10-27 CN disclosed
CN-1826322-A Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT 2A serotonin receptor for the prevention and treatment of related disorders ARENA PHARM INC (US) 2006-08-30 CN disclosed