SCHEMBL6620940

SCHEMBL6620940

Cc1cc2ncnn2nc1OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
ALOX5 P09917 8/20 0.46
HTR2A P28223 4/20 0.45
HTR7 P34969 3/20 0.45
HRH1 P35367 3/20 0.45
ADRA1A P35348 2/20 0.45
HTR6 P50406 2/20 0.45
HRH2 P25021 2/20 0.45
DRD3 P35462 2/20 0.45
HTR2B P41595 2/20 0.45
KCNH2 Q12809 2/20 0.45
ABCB11 O95342 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45

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
Hydrochloric Acid SCHEMBL6618112 0.91 ALOX5 (0.55) ALDH1A1ALOX5P2RX7
SCHEMBL6621990 0.91 ALDH1A1 (0.50) ALDH1A1LMNAGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL6617542 0.91 ALOX5 (0.55) ALDH1A1ALOX5P2RX7
Hydrochloric Acid SCHEMBL6619575 0.88 ALDH1A1 (0.49) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL7009681 0.85 ALDH1A1 (0.46) ALDH1A1LMNAGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL6617880 0.84 ALOX5 (0.46) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL6616529 0.84 PARP14 (0.46) LMNAMAPK1HTR2AHTR7HRH1
Hydrochloric Acid SCHEMBL6620536 0.83 ALOX5 (0.48) ALDH1A1ALOX5P2RX7MEN1KMT2A
SCHEMBL8146601 0.82 ALDH1A1 (0.55) ALDH1A1LMNAGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL6620924 0.82 ALDH1A1 (0.54) ALDH1A1LMNAGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed