SCHEMBL7219268

SCHEMBL7219268

Cc1cc2ncnn2nc1SCCCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.48
ALOX5 P09917 7/20 0.46

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 SCHEMBL6618120 0.99 P2RX7 (0.48) P2RX7ALOX5
SCHEMBL7009681 0.89 ALDH1A1 (0.46) P2RX7ALOX5
Hydrochloric Acid SCHEMBL6617880 0.88 ALOX5 (0.46) P2RX7ALOX5
SCHEMBL6618725 0.86 P2RX7 (0.42) P2RX7ALOX5
Hydrochloric Acid SCHEMBL6617542 0.83 ALOX5 (0.55) P2RX7ALOX5
Hydrochloric Acid SCHEMBL6618112 0.82 ALOX5 (0.55) P2RX7ALOX5
SCHEMBL8136555 0.79 ALDH1A1 (0.43) P2RX7ALOX5
SCHEMBL6631556 0.79 P2RX7 (0.44) P2RX7ALOX5
SCHEMBL6622834 0.79 ALDH1A1 (0.43) P2RX7ALOX5
Hydrochloric Acid SCHEMBL6619396 0.79 ALDH1A1 (0.43) P2RX7ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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